CHEBI:209261 - NF00659A2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name NF00659A2
ChEBI ID CHEBI:209261
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H54O7
Net Charge 0
Average Mass 622.843
Monoisotopic Mass 622.38695
InChI InChI=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+
InChIKey NPVINQWQGDQAJA-CAGMGGGLSA-N
SMILES O=C1OC(=C(C)C(=C1CC2C(=C)C(O)CC3C2(CCC4C3(CCC(OC(=O)/C=C/C=C/C=C/C(CC)C)C(O4)(C)C)C)C)O)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78444271 ChemSpider
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