Dahliane D (CHEBI:218174)

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CHEBI:218174 - Dahliane D

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ChEBI ID	CHEBI:218174
ChEBI Name	Dahliane D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H30O5
Net Charge	0
Average Mass	350.455
Monoisotopic Mass	350.20932
SMILES	CC(CO)[C@H]1[C@H](O)[C@@H](O)C2=CC3=C(CO)C(=O)CC[C@@]3(C)CC[C@@]21C
InChI	InChI=1S/C20H30O5/c1-11(9-21)16-18(25)17(24)14-8-13-12(10-22)15(23)4-5-19(13,2)6-7-20(14,16)3/h8,11,16-18,21-22,24-25H,4-7,9-10H2,1-3H3/t11?,16-,17-,18-,19-,20-/m0/s1
InChIKey	XZPHWDDYNZKGQF-WBACSBQKSA-N

Species of Metabolite	Component	Source	Comments
Verticillium dahliae (ncbitaxon:27337)	-	PubMed (26221875)

ChEBI Ontology

Outgoing Relation(s)
	Dahliane D (CHEBI:218174) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(1S,2S,3R,3aR,5aR)-1,2-dihydroxy-9-(hydroxymethyl)-3-(1-hydroxypropan-2-yl)-3a,5a-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-8-one

Manual Xrefs	Databases
78441791	ChemSpider