input word = C00064007

Metabolite InformationStructural formula
Name Ervatensine B
Formula C40H48N4O3
Mw 632.37264143
CAS RN 1708118-60-8
C_ID C00064007
InChIKey LOPRZRPYZZZEJR-TWCCKASXSA-N
InChICode InChI=1S/C40H48N4O3/c1-5-22-13-21-14-31-37-25(11-12-44(20-21)39(22)31)27-18-35(46-3)28(16-33(27)43-37)29-15-26-23(6-2)19-41-34(36(26)40(45)47-4)17-30-24-9-7-8-10-32(24)42-38(29)30/h6-10,16,18,21-22,26,29,31,34,36,39,41-43H,5,11-15,17,19-20H2,1-4H3/b23-6-/t21?,22-,26-,29+,31-,34-,36-,39-/m0/s1
SMILES CC=C1CNC2Cc3c([nH]c4ccccc34)C(c3cc4[nH]c5c(c4cc3OC)CCN3CC4CC(CC)C3C5C4)CC1C2C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana corymbosa Ref.
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