CHEBI:221655 - Py-469

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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 Py-469
ChEBI ID CHEBI:221655
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H35NO6
Net Charge 0
Average Mass 469.578
Monoisotopic Mass 469.24644
InChI InChI=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
InChIKey QCCHEDFWNWXQQL-OYGCYDAYSA-N
SMILES O=C1NC=C([C@@]2(O)[C@H]3O[C@H]3[C@H](O)CC2)C(=C1C(=O)[C@@H]4C=C([C@H]5CC[C@@H](C[C@@H]5[C@H]4/C=C/C)C)C)O
Metabolite of Species Details
Talaromyces var.abilis (NCBI:txid28576) See: PubMed
ChEBI Ontology
Outgoing 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