input word = C00064354

Metabolite InformationStructural formula
Name beta-Truxilline
Formula C38H46N2O8
Mw 658.32541646
CAS RN 490-15-3
C_ID C00064354
InChIKey SYSWFFZJNZSEIZ-FGABBBEOSA-N
InChICode InChI=1S/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)30(22-13-9-6-10-14-22)34(33)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3/t23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33+,34-/m0/s1
SMILES COC(=O)C1C(OC(=O)C2C(C(=O)OC3CC4CCC(C3C(=O)OC)N4C)C(c3ccccc3)C2c2ccccc2)CC2CCC1N2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum coca Ref.
PlantaeErythroxylaceaeErythroxylum novogranatense Ref.
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