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CHEBI:209261 - NF00659A2

ChEBI IDCHEBI:209261
ChEBI NameNF00659A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H54O7
Net Charge0
Average Mass622.843
Monoisotopic Mass622.38695
SMILESC=C1C(O)CC2C3(C)CCC(OC(=O)/C=C/C=C/C=C/C(C)CC)C(C)(C)OC3CCC2(C)C1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C38H54O7/c1-10-23(2)15-13-11-12-14-16-33(40)44-31-17-20-38(9)30-22-29(39)25(4)28(21-27-34(41)24(3)26(5)43-35(27)42)37(30,8)19-18-32(38)45-36(31,6)7/h11-16,23,28-32,39,41H,4,10,17-22H2,1-3,5-9H3/b12-11+,15-13+,16-14+
InChIKeyNPVINQWQGDQAJA-CAGMGGGLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (9186556)
ChEBI Ontology
Outgoing Relation(s)
NF00659A2 (CHEBI:209261) is a oxacycle (CHEBI:38104)
IUPAC Name 
[10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-1,2,3,5a,6,7,8,10,11,11a-decahydronaphtho[2,1-b]oxepin-3-yl] (2E,4E,6E)-8-methyldeca-2,4,6-trienoate
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78444271ChemSpider