input word = C00042727

Metabolite InformationStructural formula
Name Melilotigenin D
(-)-Melilotigenin D
Formula C30H44O5
Mw 484.31887452
CAS RN 215938-31-1
C_ID C00042727 ,
InChIKey IFACNWHWWMMIQU-NQRVRJQUNA-N
InChICode InChI=1S/C30H44O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-21,31H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,25-,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]2C[C@](CC1=O)(C)C(=O)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMelilotus messanensis Ref.
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