Asnovolin C (CHEBI:205685)

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CHEBI:205685 - Asnovolin C

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ChEBI ID	CHEBI:205685
ChEBI Name	Asnovolin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H42O7
Net Charge	0
Average Mass	478.626
Monoisotopic Mass	478.29305
SMILES	COC(=O)CC[C@@]1(C)[C@H](C(C)(C)O)CC[C@H](C)[C@@]12C[C@@]1(C)C(=C(C)C(=O)[C@@H](C(=O)OC)[C@@H]1C)O2
InChI	InChI=1S/C27H42O7/c1-15-10-11-18(24(4,5)31)26(7,13-12-19(28)32-8)27(15)14-25(6)17(3)20(23(30)33-9)21(29)16(2)22(25)34-27/h15,17-18,20,31H,10-14H2,1-9H3/t15-,17-,18-,20-,25+,26-,27-/m0/s1
InChIKey	FRDOZZMEVOEXGX-POYXXTQDSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Asnovolin C (CHEBI:205685) is a monoterpenoid (CHEBI:25409)

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

Manual Xrefs	Databases
76777898	ChemSpider