13-Hydroxy-3,8,7(11)-eudesmatrien-12,8-olide (CHEBI:226393)

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CHEBI:226393 - 13-Hydroxy-3,8,7(11)-eudesmatrien-12,8-olide

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ChEBI ID	CHEBI:226393
ChEBI Name	13-Hydroxy-3,8,7(11)-eudesmatrien-12,8-olide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H18O3
Net Charge	0
Average Mass	246.306
Monoisotopic Mass	246.12559
SMILES	CC1=CCC[C@@]2(C)C=C3OC(=O)C(CO)=C3C[C@H]12
InChI	InChI=1S/C15H18O3/c1-9-4-3-5-15(2)7-13-10(6-12(9)15)11(8-16)14(17)18-13/h4,7,12,16H,3,5-6,8H2,1-2H3/t12-,15+/m1/s1
InChIKey	YGAZFGCBVZLCRF-DOMZBBRYSA-N

Species of Metabolite	Component	Source	Comments
Eutypella (ncbitaxon:140192)	-	PubMed (28951605)

ChEBI Ontology

Outgoing Relation(s)
	13-Hydroxy-3,8,7(11)-eudesmatrien-12,8-olide (CHEBI:226393) is a naphthofuran (CHEBI:39270)

IUPAC Name
(4aR,8aR)-3-(hydroxymethyl)-5,8a-dimethyl-4,4a,7,8-tetrahydrobenzo[][1]benzouran-2-one

Manual Xrefs	Databases
62285691	ChemSpider