Asnovolin D (CHEBI:205691)

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CHEBI:205691 - Asnovolin D

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ChEBI ID	CHEBI:205691
ChEBI Name	Asnovolin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H40O7
Net Charge	0
Average Mass	464.599
Monoisotopic Mass	464.27740
SMILES	COC(=O)[C@@H]1C(=O)C(C)=C2O[C@@]3(C[C@]2(C)[C@H]1C)[C@@H](C)CC[C@@H](C(C)(C)O)[C@]3(C)CCC(=O)O
InChI	InChI=1S/C26H40O7/c1-14-9-10-17(23(4,5)31)25(7,12-11-18(27)28)26(14)13-24(6)16(3)19(22(30)32-8)20(29)15(2)21(24)33-26/h14,16-17,19,31H,9-13H2,1-8H3,(H,27,28)/t14-,16-,17-,19-,24+,25-,26-/m0/s1
InChIKey	DBVLHWIPFHLNFC-IGZQQFENSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (27626956)

ChEBI Ontology

Outgoing Relation(s)
	Asnovolin D (CHEBI:205691) is a monoterpenoid (CHEBI:25409)

IUPAC Name
3-[(1'S,2S,3'S,3aR,4S,5S,6'R)-6'-(2-hydroxypropan-2-yl)-5-methoxycarbonyl-1',3',3a,4,7-pentamethyl-6-oxospiro[4,5-dihydro-3H-1-benzouran-2,2'-cyclohexane]-1'-yl]propanoic acid

Manual Xrefs	Databases
76778714	ChemSpider