input word = C00052860

Metabolite InformationStructural formula
Name Balsaminol D
Formula C27H42O4
Mw 430.30830983
CAS RN 1242601-45-1
C_ID C00052860
InChIKey NBZHVWXCQLFQNW-ATYSFEEYSA-N
InChICode InChI=1S/C27H42O4/c1-16(13-17(2)29)18-9-10-27(6)23-21(30)14-20-19(7-8-22(31)25(20,4)15-28)24(23,3)11-12-26(18,27)5/h14,16,18-19,22-23,28,31H,7-13,15H2,1-6H3/t16-,18-,19-,22+,23-,24+,25-,26-,27+/m1/s1
SMILES CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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