CHEBI:213533 - Phellinignin A

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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 Phellinignin A
ChEBI ID CHEBI:213533
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O3
Net Charge 0
Average Mass 250.338
Monoisotopic Mass 250.15689
InChI InChI=1S/C15H22O3/c1-8-4-5-9-11(7-18-14(9)17)12-10(8)6-15(2,3)13(12)16/h8,10,12-13,16H,4-7H2,1-3H3/t8-,10-,12-,13+/m1/s1
InChIKey BSQCTJIPFANMHL-DXLKZPDWSA-N
SMILES O=C1OCC2=C1CC[C@@H](C)[C@@H]3[C@H]2[C@H](O)C(C)(C)C3
Metabolite of Species Details
Phellinus igniarius (NCBI:txid40472) See: PubMed
ChEBI Ontology
Outgoing Phellinignin A (CHEBI:213533) is a diterpenoid (CHEBI:23849)
IUPAC Name
(6R,6aR,9S,9aR)-9-hydroxy-6,8,8-trimethyl-1,4,5,6,6a,7,9,9a-octahydroazuleno[4,5-c]uran-3-one