About: Spirangien B

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About: Spirangien B Goto Sponge NotDistinct Permalink

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

bioactive natural product

Attributes	Values
rdf:type	Item
description	composé chimique (fr) chemische Verbindung (de) রাসায়নিক যৌগ (bn) bioactive natural product (en) біоактивний натуральний продукт (uk)
rdfs:label	Spirangien B (en)
skos:prefLabel	Spirangien B (en)
name	Spirangien B (en)
isomeric SMILES	wds:Q77421932-A2359605-8942-4E88-8F6B-93FBE887E1D3
stereoisomer of	wds:Q77421932-142E27C4-C523-4BA5-98CE-D327F2A618EB wds:Q77421932-6F0D6201-59AC-42A2-A67A-E54FC74637F3 wds:Q77421932-92E000D4-B3AA-41D0-B139-6D512BCE6B19
isomeric SMILES	CC/C=C(\C)/C[C@H](C)[C@@H]([C@@H](C)[C@@H]1[C@@H]([C@@H](C[C@@]2(O1)[C@H](C[C@@H]([C@H](O2)[C@@H](C)[C@H]([C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)O)C)O)OC)C)O
stereoisomer of	(3S,4Z,6E,8Z,10E,12Z,14S,15R,16R)-15-hydroxy-16-[(2R,3S,4R,6S,8S,9R,11R)-11-hydroxy-2-[(E,2S,3S,4S)-3-hydroxy-4,6-dimethylnon-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid Spirangien P Spirangien M
instance of	wds:Q77421932-921E1C82-384E-4C6E-8466-86D12D03C1FE
instance of	type of chemical entity
subclass of	wds:Q77421932-5325C87E-107D-4A44-93F9-2A2A6E3A7E78 wds:Q77421932-6F0EBFAC-6528-412E-95AD-23F7478F113B
subclass of	15-Hydroxy-16-[11-hydroxy-2-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid (10E)-15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid
found in taxon	wds:Q77421932-221EAE5E-E0E1-45C6-A2BC-B8B3DA4B40C5
found in taxon	Sorangium cellulosum
UniChem compound ID	wds:Q77421932-D0F1180C-DFD2-4BED-B78C-939E6E10D48F
canonical SMILES	wds:Q77421932-9F361CB4-DF6B-4DAC-B1CA-718650859139
InChI	wds:Q77421932-867FBBD4-6910-475A-B625-C73F4EB50E57
InChIKey	wds:Q77421932-A3902F13-C953-4902-A592-41FE061D9E44
chemical formula	wds:Q77421932-6FF66D35-D2DA-4C25-B99E-F6B11EED0619
PubChem CID	wds:Q77421932-EA6400E8-FB81-4614-9070-9591B1A55A73
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID11600135
UniChem compound ID	32857774
canonical SMILES	O=C(O)CC(OC)C=CC=CC=CC=CC=CC(C)C(O)C(C)C1OC2(OC(C(C)C(O)C(C)CC(=CCC)C)C(C)C(OC)C2)C(O)CC1C
InChI	InChI=1S/C42H68O9/c1-11-20-27(2)23-29(4)39(47)33(8)41-31(6)35(49-10)26-42(51-41)36(43)24-30(5)40(50-42)32(7)38(46)28(3)21-18-16-14-12-13-15-17-19-22-34(48-9)25-37(44)45/h12-22,28-36,38-41,43,46-47H,11,23-26H2,1-10H3,(H,44,45)/b13-12-,16-14+,17-15+,21-18-,22-19-,27-20+/t28-,29-,30-,31+,32-,33+,34+,35+,36-,38-,39-,40-,41-,42+/m0/s1
InChIKey	BOJZOFIRYFCWHX-HHEVCLCDSA-N
chemical formula	C₄₂H₆₈O₉
PubChem CID	11600135
mass	wds:Q77421932-E651CB28-298A-4E76-8733-71F76445FE21
mass	716.486333756 (xsd:decimal)
Natural Product Atlas ID	wds:Q77421932-0878210F-7C85-48D5-9045-C05BE5AA6585
Natural Product Atlas ID	NPA008287
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q77421932
is stereoisomer of of	(3S,4Z,6E,8Z,10E,12Z,14S,15R,16R)-15-hydroxy-16-[(2R,3S,4R,6S,8S,9R,11R)-11-hydroxy-2-[(E,2S,3S,4S)-3-hydroxy-4,6-dimethylnon-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid Spirangien P Spirangien M
is stereoisomer of of	wds:Q104939276-8783A717-1AA9-4A5F-9921-C3F955F6F17D wds:Q104939278-0DDD2CFE-CF9A-4F7B-A80F-6224C3898C4B wds:Q77493401-4BC18E07-464C-4A34-ACEE-FF4DB3036CD3
is main subject of	Spirangien A and B, Highly Cytotoxic and Antifungal Spiroketals from the MyxobacteriumSorangium cellulosum: Isolation, Structure Elucidation and Chemical Modifications
is main subject of	wds:Q78232868-A038D128-D199-467D-B1CB-C1D7236E0A60

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