input word = C00039741

Metabolite InformationStructural formula
Name Meliacarpinin B
(-)-Meliacarpinin B
Formula C33H44O12
Mw 632.28327687
CAS RN 152271-48-2
C_ID C00039741 ,
InChIKey RTLVRBRPDYVKFF-ZDIINXCDNA-N
InChICode InChI=1S/C33H44O12/c1-8-16(2)23(34)43-18-9-10-30-15-42-32(39-7,25(35)38-6)24(30)28(4)22(20-21(30)27(18,3)14-41-20)45-29(5)17-13-19(33(28,29)37)44-26-31(17,36)11-12-40-26/h8,11-12,17-22,24,26,36-37H,9-10,13-15H2,1-7H3/b16-8+/t17-,18-,19+,20-,21+,22-,24+,26-,27-,28-,29-,30-,31?,32+,33+/m1/s1
SMILES C1[C@H]([C@@]2([C@H]3[C@]4(C1)[C@H]([C@]1([C@@H]([C@@H]3OC2)O[C@]2([C@@]1([C@H]1O[C@@H]3[C@]([C@@H]2C1)(C=CO3)O)O)C)C)[C@](OC4)(C(=O)OC)OC)C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia toosendan Ref.
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