(10′S)-Verruculide B (CHEBI:219643)

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CHEBI:219643 - (10′S)-Verruculide B

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ChEBI ID	CHEBI:219643
ChEBI Name	(10′S)-Verruculide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H36O6
Net Charge	0
Average Mass	432.557
Monoisotopic Mass	432.25119
SMILES	C/C(=C\Cc1c(O)cc(O)c2c1C[C@@H](C)OC2=O)CC/C=C(\C)CC[C@H](O)C(C)(C)O
InChI	InChI=1S/C25H36O6/c1-15(7-6-8-16(2)10-12-22(28)25(4,5)30)9-11-18-19-13-17(3)31-24(29)23(19)21(27)14-20(18)26/h8-9,14,17,22,26-28,30H,6-7,10-13H2,1-5H3/b15-9+,16-8+/t17-,22+/m1/s1
InChIKey	CBQSQQCAFNEQFL-YDIHSEQDSA-N

Species of Metabolite	Component	Source	Comments
Phoma (ncbitaxon:37463)	-	PubMed (28202316)

ChEBI Ontology

Outgoing Relation(s)
	(10′S)-Verruculide B (CHEBI:219643) is a terpene lactone (CHEBI:37668)

IUPAC Name
(3R)-5-[(2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one

Manual Xrefs	Databases
76789276	ChemSpider