input word = C00037685

Metabolite InformationStructural formula
Name Primulagenin A
Schiwalligenin B1
Formula C30H50O3
Mw 458.37599546
CAS RN 465-95-2
C_ID C00037685 ,
InChIKey YHGVYECWZWIVJC-MXUJYHJKNA-N
InChICode InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24+,27-,28+,29+,30+/m0/s1
SMILES CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeAegiceras corniculatum Ref.
PlantaeMyrsinaceaeEmbelia schimperi Ref.
PlantaeMyrsinaceaeLysimachia clethroides Ref.
PlantaeMyrsinaceaeMyrsine africana Ref.
PlantaePrimulaceaePrimula officinalis L. Ref.
PlantaePrimulaceaePrimula sieboldii Ref.
PlantaeTheophrastaceaeJacquinia pungens Ref.
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