input word = C00001702

Metabolite InformationStructural formula
Name Caracurine V
Formula C38H40N4O2
Mw 584.31512655
CAS RN 630-87-5
C_ID C00001702 ,
InChIKey CIRUUTNLDXXBKU-HARXIRJENA-N
InChICode InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1
SMILES c1cc2c(cc1)[C@@]13[C@H]4N2[C@H]2[C@H]5[C@@H]6N([C@H]7[C@@H]4[C@H]4C[C@@H]1N(CC3)CC4=CCO7)c1ccccc1[C@@]16[C@@H]3C[C@H]5C(=CCO2)CN3CC1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos afzelii Ref.
PlantaeLonganiaceaeStrychnos dolichothyrsa Ref.
PlantaeLonganiaceaeStrychnos toxifera Ref.
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