Bisacremine A (CHEBI:202157)

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CHEBI:202157 - Bisacremine A

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ChEBI ID	CHEBI:202157
ChEBI Name	Bisacremine A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H32O4
Net Charge	0
Average Mass	384.516
Monoisotopic Mass	384.23006
SMILES	Cc1ccc(/C=C/[C@]2(C)CC[C@@](C)(/C=C/C3=C[C@H](O)[C@](C)(O)C[C@@H]3O)O2)cc1
InChI	InChI=1S/C24H32O4/c1-17-5-7-18(8-6-17)9-11-22(2)13-14-23(3,28-22)12-10-19-15-21(26)24(4,27)16-20(19)25/h5-12,15,20-21,25-27H,13-14,16H2,1-4H3/b11-9+,12-10+/t20-,21-,22+,23+,24+/m0/s1
InChIKey	HNOZTTDBTGBFNA-LXQHMWTASA-N

Species of Metabolite	Component	Source	Comments
Acremonium (ncbitaxon:159075)	-	PubMed (26295905)

ChEBI Ontology

Outgoing Relation(s)
	Bisacremine A (CHEBI:202157) is a styrenes (CHEBI:26799)

IUPAC Name
(1S,2R,4S)-5-[(E)-2-[(2S,5S)-2,5-dimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]oxolan-2-yl]ethenyl]-2-methylcyclohex-5-ene-1,2,4-triol

Manual Xrefs	Databases
35517192	ChemSpider