input word = C00064012

Metabolite InformationStructural formula
Name Ervatensine A
Formula C42H52N4O4
Mw 676.39885618
CAS RN 1708127-53-0
C_ID C00064012
InChIKey FEQZUIYQDAAUOE-KLQIGROJSA-N
InChICode InChI=1S/C42H52N4O4/c1-6-24-14-23-15-32-38-27(12-13-46(20-23)40(24)32)28-18-36(49-4)29(17-35(28)44-38)30-16-33-25(7-2)21-45(3)37(42(33,22-47)41(48)50-5)19-31-26-10-8-9-11-34(26)43-39(30)31/h7-11,17-18,23-24,30,32-33,37,40,43-44,47H,6,12-16,19-22H2,1-5H3/b25-7-/t23?,24-,30+,32-,33-,37-,40?,42-/m0/s1
SMILES CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4[nH]c5c(c4cc3OC)CCN3CC4CC(CC)C3C5C4)CC1C2(CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana corymbosa Ref.
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