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CHEBI:213337 - Laetiposide A

Default Structure
ChEBI IDCHEBI:213337
ChEBI NameLaetiposide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60O9
Net Charge0
Average Mass648.878
Monoisotopic Mass648.42373
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@H]3OC1OC(CO)C(O)C(O)C1O)C(C)C
InChIInChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)/t21-,22-,24-,25?,26?,27+,29?,30?,31?,33?,35-,36-,37+/m1/s1
InChIKeyVWMVCDKDDCSCQH-XTDJSHLXSA-N
Species of MetaboliteComponentSourceComments
Laetiporus versisporus (ncbitaxon:447507) - PubMed (10217704)
ChEBI Ontology
Outgoing Relation(s)
Laetiposide A (CHEBI:213337) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3S,7R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
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