input word = C00055665

Metabolite InformationStructural formula
Name 3-Oxolup-20(29)-en-30-al
3Oxolupenal
Formula C30H46O2
Mw 438.34978071
CAS RN 79875-79-9
C_ID C00055665
InChIKey UULYNHWOJRYOFT-BHMAJAPKSA-N
InChICode InChI=1S/C30H46O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
SMILES C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeStilbaceaeNuxia sphaerocephala Ref.
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