input word = C00056376

Metabolite InformationStructural formula
Name Glycinoeclepin B
Formula C31H42O9
Mw 558.28288294
CAS RN 103847-17-2
C_ID C00056376
InChIKey RMMQUGYNWLQNHP-WPVFPYPFSA-N
InChICode InChI=1S/C31H42O9/c1-16(25(34)35)12-20(33)13-17(2)29(6)10-8-21-24(26(36)37)19(14-23(30(21,29)7)39-18(3)32)15-31-11-9-22(40-31)28(4,5)27(31)38/h8,12,17,20,22-23,33H,9-11,13-15H2,1-7H3,(H,34,35)(H,36,37)/b16-12+/t17-,20-,22+,23-,29+,30-,31+/m1/s1
SMILES CC(=O)O[C@@H]1CC(C[C@]23CC[C@H](O2)C(C)(C)C3=O)=C(C(=O)O)C2=CC[C@@](C)([C@H](C)C[C@H](O)/C=C(C)C(=O)O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
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