About: [(2Z,4S,8S,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

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About: [(2Z,4S,8S,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate Goto Sponge NotDistinct Permalink

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chemical compound

Attributes	Values
rdf:type	Item
description	composto chimico (it) химическое соединение (ru) chemical compound (en) composé chimique (fr) תרכובת (he) kemisk forbindelse (da) compositum chemicum (la) chemische Verbindung (de) քիմիական միացություն (hy) chemická sloučenina (cs) chemická zlúčenina (sk) chemische verbinding (nl) kemia kombinaĵo (eo) związek chemiczny (pl) chemical compound (en-ca) chemical compound (en-gb) chemiese verbinding (af) chemische Verbindung (de-ch) component quimic (oc) compost químic (ca) composto químico (gl) composto químico (pt) composto químico (pt-br) compuesto quimico (an) compuestu químicu (ast) compus chimic (ro) kemiallinen yhdiste (fi) kjemisk forbindelse (nb) kjemisk sambinding (nn) komponim kimik (sq) konposatu kimiko (eu) senyawa kimia (id) ķīmisks savienojums (lv) хімічна сполука (uk) مركب كيميائي (ar) রাসায়নিক যৌগ (bn) compuesto químico (es) payvastagii khimiyaviy (tg-latn) пайвастагии химиявӣ (tg-cyrl) chemesch Verbindung (lb)
rdfs:label	[(2Z,4S,8S,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate (en)
skos:prefLabel	[(2Z,4S,8S,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate (en)
name	[(2Z,4S,8S,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate (en)
isomeric SMILES	wds:Q104938606-BA40772D-7DB7-4D0C-87F5-C537BBA315EB
stereoisomer of	wds:Q104938606-2049D52C-ABAF-4891-95A0-18FF51E0A511 wds:Q104938606-3B937B49-A349-40A8-B77B-3E7BE1A3E812 wds:Q104938606-3F865A7A-3A7F-4953-80BA-653FD4858DF7 wds:Q104938606-5810FCD7-810F-488A-AA6E-E77F9FD0B965 wds:Q104938606-58DD670D-8F5A-430F-93BF-AE623EFDE054 wds:Q104938606-6E7E34F8-068F-40FF-9515-F0223BB8A5BB wds:Q104938606-7CA375A8-31AE-4427-8E17-7ACAEFF219A9 wds:Q104938606-DB847EC3-C2EC-4319-8291-A798465C3A76 wds:Q104938606-EC7E2450-28CC-4B2D-8CA5-AC4204BF303A
isomeric SMILES	C=C1C(=O)O[C@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3
stereoisomer of	Centratherin Budlein A tiglate [(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate [(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate [(2E,4S,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate [(2E,4S,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate [(2Z,4R,8R,9R,11S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate Lychnophorolide B Budlein A
instance of	wds:Q104938606-AA791E67-9CBA-43C2-850B-44FB0EE9E1C7
instance of	type of chemical entity
subclass of	wds:Q104938606-2FB5D327-FEA4-4F50-87F8-A9ADFDF95827 wds:Q104938606-5107E3FB-DCD6-4EFE-9AD7-B2A3CB56E91B wds:Q104938606-5A0DDF6D-0074-41AC-8062-3C4B0E8F54F9 wds:Q104938606-A4407839-6CCF-41D7-921C-1ECCA72E9438
subclass of	(2Z,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 2-methylbut-2-enoate [2-(Hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylbut-2-enoate [(2E,4S,8R,9S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate [(4S,8R,9S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate
found in taxon	wds:Q104938606-5D2307E7-FA7B-43BA-B979-F379449B5B48
found in taxon	Calea ternifolia
canonical SMILES	wds:Q104938606-5186448C-AD06-4B9C-AAA8-F4884EFB5F2C
InChI	wds:Q104938606-7FDC7C0C-AA9D-4694-A280-2121F750375F
InChIKey	wds:Q104938606-377A74FB-C300-44A2-B79F-3D6F3032D56D
chemical formula	wds:Q104938606-3E6CCF63-281E-4E8D-AC2F-266274238BB5
PubChem CID	wds:Q104938606-A42C796D-AFB8-4CD0-9236-D2117B188FD1
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162996312
canonical SMILES	O=C(OC1CC2(OC(=CC2=O)C(=CC3OC(=O)C(=C)C31)CO)C)C(=CC)C
InChI	InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5+,12-6-/t14-,15+,17+,20+/m0/s1
InChIKey	BMVJFNLJSZHNNS-ZVRVHIDOSA-N
chemical formula	C₂₀H₂₂O₇
PubChem CID	162996312
mass	wds:Q104938606-38C7AC10-4694-44C6-9071-2F246ACDE422
mass	374.136553044 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104938606
is stereoisomer of of	Centratherin Budlein A tiglate [(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate [(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate [(2E,4S,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate [(2E,4S,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate [(2Z,4R,8R,9R,11S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate Lychnophorolide B Budlein A
is stereoisomer of of	wds:Q27105993-7F5BC445-BBF4-487E-9589-812813194E54

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