About: Vaticanol E

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An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

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	Vaticanol E (en)
skos:prefLabel	Vaticanol E (en)
name	Vaticanol E (en)
isomeric SMILES	wds:Q104400516-C0C62D5B-5572-4C9E-8EBA-088FB26B06C2
stereoisomer of	wds:Q104400516-12DD7BE5-0E96-410B-B7FC-59C7F0DE4E43 wds:Q104400516-147C075D-0B72-4DF0-AF13-4E9DB8209BFA wds:Q104400516-27492AA7-8B71-4B45-94C9-D4C6C851EA53 wds:Q104400516-3662864A-A8CA-44BD-8D50-24C3215F45CD wds:Q104400516-3D2BC0E3-EF4B-4A8D-99A2-4410AB13F257 wds:Q104400516-4408C3E3-31C6-41F6-B05B-946B26EA9AF0 wds:Q104400516-75B2769F-309C-49B9-8D69-9922820F3297 wds:Q104400516-9A5FEE7F-4A94-40DD-83F2-36BF37147E5F wds:Q104400516-A46C62BA-E8B5-412B-87F1-431FBA0BB462 wds:Q104400516-D0921EF7-CEF8-4016-879E-758AE2FB432A wds:Q104400516-F57D920F-F845-4BB0-84D9-C3F4B14F5D84
isomeric SMILES	Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]5[C@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)cc1
stereoisomer of	vaticanol A pauciflorol A Pauciflorol B Suffruticosol B (1S,2S,3S,9S,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol (1R,2R,3R,9S,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol (1S,2R,3S,9R,10R,17R)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol (1S,2S,3S,9R,10S,17R)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol Suffruticosol A (1S,2S,3S,9R,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol (1R,5R,6R,6aS,7S,9aR)-1,6,7-Tris(4-hydroxyphenyl)-5-(3,5-dihydroxyphenyl)-8,9-(1,3-dihydroxy-2-butene-1,4-diylidene)-6,6a,7,8,9,9a-hexahydro-5H-2-oxa-1H-cyclohepta[jkl]-as-indacene-4-ol
instance of	wds:Q104400516-7075426E-5B97-45C2-A637-C1C5C2C37E42
instance of	type of chemical entity
subclass of	wds:Q104400516-ABF28F5C-9311-43B2-83FB-BF26BE4CECD5 wds:Q104400516-B9A1548F-0321-4C53-BCED-2F0DEA2A2AEA
subclass of	(1S,3R,9S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol 3-(3,5-Dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
found in taxon	wds:Q104400516-17FFADB5-4944-4DE1-A7B1-7AE1D2B6119B wds:Q104400516-344CD18D-362E-4FDA-AA9B-8F90A01915C9 wds:Q104400516-6AB89771-3DCC-42BB-A39F-C02D1FC2D348 wds:Q104400516-C35AD49E-914C-4F70-A775-765DD37C2DA8
found in taxon	Vatica pauciflora Hopea hainanensis Vatica rassak Cotylelobium melanoxylon
UniChem compound ID	wds:Q104400516-E00FDF0E-03AA-436C-AA17-763EAE13765D
canonical SMILES	wds:Q104400516-9618E12C-6C88-40FC-8CD4-3978B5629DD9
InChI	wds:Q104400516-F4745056-2037-4F90-A855-989CF2C1B906
InChIKey	wds:Q104400516-2DD3B974-EFB7-481A-A0F3-7CFE269DF76A
chemical formula	wds:Q104400516-75AFA3F4-821B-495E-BD89-D6853349B4D9
PubChem CID	wds:Q104400516-32FDE946-E77D-4285-A954-2E6D6EF7AEB5
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID21606276
UniChem compound ID	27244831
canonical SMILES	OC1=CC=C(C=C1)C2OC3=CC(O)=C4C5=C3C2C=6C=C(O)C=C(O)C6C(C7=CC=C(O)C=C7)C5C(C8=CC=C(O)C=C8)C4C=9C=C(O)C=C(O)C9
InChI	InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37+,40-,42-/m1/s1
InChIKey	MBGBQHRAJPLAPN-RLNRUITGSA-N
chemical formula	C₄₂H₃₂O₉
PubChem CID	21606276
mass	wds:Q104400516-7BE7F1E6-6357-4F9E-BF66-164B0FD04CCE
mass	680.204632604 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104400516
is stereoisomer of of	vaticanol A pauciflorol A

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