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CHEBI:221655 - Py-469

ChEBI IDCHEBI:221655
ChEBI NamePy-469
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SubmitterMetaboLights
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FormulaC27H35NO6
Net Charge0
Average Mass469.578
Monoisotopic Mass469.24644
SMILESC/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1C(=O)c1c(O)c([C@]2(O)CC[C@@H](O)[C@@H]3O[C@@H]32)cnc1=O
InChIInChI=1S/C27H35NO6/c1-4-5-16-17-10-13(2)6-7-15(17)14(3)11-18(16)22(30)21-23(31)19(12-28-26(21)32)27(33)9-8-20(29)24-25(27)34-24/h4-5,11-13,15-18,20,24-25,29,33H,6-10H2,1-3H3,(H2,28,31,32)/b5-4+/t13-,15+,16+,17-,18+,20+,24-,25-,27+/m0/s1
InChIKeyQCCHEDFWNWXQQL-OYGCYDAYSA-N
Species of MetaboliteComponentSourceComments
Talaromyces variabilis (ncbitaxon:28576) - PubMed (34312563)
ChEBI Ontology
Outgoing Relation(s)
Py-469 (CHEBI:221655) is a diterpenoid (CHEBI:23849)
IUPAC Name 
3-[(1R,2S,4aS,7S,8aR)-4,7-dimethyl-1-[(E)-prop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonyl]-5-[(1S,2R,5R,6S)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-4-hydroxy-1H-pyridin-2-one