input word = C00034390

Metabolite InformationStructural formula
Name 3-epi-Betulinic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 38736-77-5
C_ID C00034390 ,
InChIKey QGJZLNKBHJESQX-LCEPBEMDNA-N
InChICode InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@H](C3(C)C)O)C)C)C)(CC[C@H]2C(=C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus cuzcoina Ref.
PlantaeJuglandaceaeEngelhardia roxburghiana Ref.
PlantaePicramniaceaePicramnia pentandra Ref.
PlantaeRubiaceaeCoussarea paniculata Ref.
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