input word = C00042726

Metabolite InformationStructural formula
Name Melilotigenin C
(+)-Melilotigenin C
Formula C30H48O3
Mw 456.3603454
CAS RN 188970-21-0
C_ID C00042726 ,
InChIKey ZSSKGAAIGRYCEP-RBTGSZBDNA-N
InChICode InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-22,24,31,33H,9-18H2,1-7H3/t20-,21+,22+,24+,26+,27-,28+,29+,30+/m0/s1
SMILES C1[C@]2([C@H]([C@](C(=O)C1)(CO)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(C[C@H]1O)(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMelilotus messanensis Ref.
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