input word = C00029412

Metabolite InformationStructural formula
Name 19alpha-Hydroxyasiatic acid
Formula C30H48O6
Mw 504.34508927
CAS RN 70868-78-9
C_ID C00029412 ,
InChIKey YCOKATFNRPZIIU-PPBXNCNCNA-N
InChICode InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1
SMILES C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
PlantaeFagaceaeQuercus ilex Ref.
PlantaeOleaceaeOlea europaea Ref.
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
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OrganismQuercus ilex
ReferenceDe Pascual Teresa,J.et al.,An.Quim.,75,(1979),135-139