input word = C00058629

Metabolite InformationStructural formula
Name Nimbolidin B
Formula C38H50O12
Mw 698.33022706
CAS RN 76689-94-6
C_ID C00058629
InChIKey PWNMHYCRLXJKMN-QRBAKXOVSA-N
InChICode InChI=1S/C38H50O12/c1-11-19(2)35(43)50-34-32-33-36(7,18-46-32)28(48-22(5)40)16-29(49-23(6)41)37(33,8)27(15-30(42)44-10)38(34,9)31-20(3)25(24-12-13-45-17-24)14-26(31)47-21(4)39/h11-13,17,25-29,32-34H,14-16,18H2,1-10H3/b19-11+/t25-,26+,27-,28-,29+,32-,33+,34-,36-,37+,38-/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@](C)([C@@H]23)[C@@H](CC(=O)OC)[C@]1(C)C1=C(C)[C@H](c2ccoc2)C[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia toosendan Ref.
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