CHEBI:206988 - Formipinol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Formipinol
ChEBI ID CHEBI:206988
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H60O7
Net Charge 0
Average Mass 616.880
Monoisotopic Mass 616.43390
InChI InChI=1S/C37H60O7/c1-23(2)11-10-12-24(22-38)27-19-29(39)37(8)26-13-14-28-33(3,4)30(44-32(41)21-34(5,42)20-31(40)43-9)16-17-35(28,6)25(26)15-18-36(27,37)7/h11,24,27-30,38-39,42H,10,12-22H2,1-9H3/t24-,27+,28-,29-,30+,34-,35+,36+,37+/m0/s1
InChIKey CHLVGVZUMKSZKD-VZLXLCGUSA-N
SMILES O=C(O[C@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](CO)CCC=C(C)C)C[C@@H]4O)(C)CC3)C)CC2)(C)CC1)(C)C)C[C@@](O)(CC(=O)OC)C
Metabolite of Species Details
Fomitopsis (NCBI:txid34474) See: PubMed
ChEBI Ontology
Outgoing Formipinol (CHEBI:206988) is a triterpenoid (CHEBI:36615)
IUPAC Name
1-O-[(3R,5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-O-methyl (3S)-3-hydroxy-3-methylpentanedioate