input word = C00053395

Metabolite InformationStructural formula
Name Karavoate H
Formula C45H60O5
Mw 680.44407503
CAS RN 1269766-60-0
C_ID C00053395
InChIKey LONNOTBMXUGTQD-UYEYGKGISA-N
InChICode InChI=1S/C45H60O5/c1-29(2)26-33(49-40(46)31-16-12-10-13-17-31)27-30(3)34-22-23-45(8)39-37(48-9)28-36-35(43(39,6)24-25-44(34,45)7)20-21-38(42(36,4)5)50-41(47)32-18-14-11-15-19-32/h10-19,26,28,30,33-35,37-39H,20-25,27H2,1-9H3/t30-,33+,34-,35-,37+,38+,39-,43+,44-,45+/m1/s1
SMILES [H][C@]1([C@H](C)C[C@@H](OC(C2=CC=CC=C2)=O)/C=C(C)C)CC[C@@]3(C)[C@]4([H])[C@@H](OC)C=C5C(C)(C)[C@@H](OC(C6=CC=CC=C6)=O)CC[C@@]5([H])[C@]4(C)CC[C@@]31C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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