Sarocladione (CHEBI:226968)

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CHEBI:226968 - Sarocladione

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ChEBI ID	CHEBI:226968
ChEBI Name	Sarocladione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H44O3
Net Charge	0
Average Mass	428.657
Monoisotopic Mass	428.32905
SMILES	C/C1=C\CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]2C(=O)[C@@H]2CC(=O)C[C@@H](CC1)O2
InChI	InChI=1S/C28H44O3/c1-18(2)20(4)10-11-21(5)24-13-14-25-27(30)26-17-22(29)16-23(31-26)12-9-19(3)8-7-15-28(24,25)6/h8,10-11,18,20-21,23-26H,7,9,12-17H2,1-6H3/b11-10+,19-8+/t20-,21+,23+,24+,25-,26-,28+/m0/s1
InChIKey	RGPQXGREEVWBLC-NZQVDVCMSA-N

Species of Metabolite	Component	Source	Comments
Sarocladium kiliense (ncbitaxon:45277)	-	PubMed (31165123)

ChEBI Ontology

Outgoing Relation(s)
	Sarocladione (CHEBI:226968) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1S,3R,6R,7R,10E,14R)-6-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-18-oxatricyclo[12.3.1.03,7]octadec-10-ene-2,16-dione

Manual Xrefs	Databases
74786518	ChemSpider