input word = C00056784

Metabolite InformationStructural formula
Name 13beta,28-Epoxy-11-ursen-3-one
Formula C30H46O2
Mw 438.34978071
CAS RN 128529-78-2
C_ID C00056784
InChIKey PKMBOLUTQNQQBP-MJFBQLCDSA-N
InChICode InChI=1S/C30H46O2/c1-19-8-14-29-17-16-28(7)27(6)13-9-21-25(3,4)23(31)11-12-26(21,5)22(27)10-15-30(28,32-18-29)24(29)20(19)2/h10,15,19-22,24H,8-9,11-14,16-18H2,1-7H3/t19-,20+,21+,22-,24-,26+,27-,28+,29-,30+/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@H]13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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