Dihydrobisvertinolone (CHEBI:214340)

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CHEBI:214340 - Dihydrobisvertinolone

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ChEBI ID	CHEBI:214340
ChEBI Name	Dihydrobisvertinolone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H34O9
Net Charge	0
Average Mass	514.571
Monoisotopic Mass	514.22028
SMILES	C/C=C/C=C/C(O)=C1/C(O)=C(C)C(=O)[C@@]2(C)O[C@@]3(O)[C@@](C)(O)C(=O)C(C(=O)CC/C=C/C)=C(O)[C@@]3(C)[C@@H]12
InChI	InChI=1S/C28H34O9/c1-7-9-11-13-16(29)18-20(31)15(3)22(32)26(5)21(18)25(4)23(33)19(17(30)14-12-10-8-2)24(34)27(6,35)28(25,36)37-26/h7-11,13,21,29,31,33,35-36H,12,14H2,1-6H3/b9-7+,10-8+,13-11+,18-16+/t21-,25-,26+,27+,28-/m1/s1
InChIKey	WQBJMULJHJGKBM-MSRGAVKGSA-N

Species of Metabolite	Component	Source	Comments
Penicillium terrestre (ncbitaxon:374132)	-	PubMed (16161481)

ChEBI Ontology

Outgoing Relation(s)
	Dihydrobisvertinolone (CHEBI:214340) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(4S,4aR,5aS,9Z,9aR,9bR)-2-[(E)-hex-4-enoyl]-1,4,4a,8-tetrahydroxy-9-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-4,5a,7,9b-tetramethyl-9aH-dibenzouran-3,6-dione

Manual Xrefs	Databases
9527741	ChemSpider