input word = C00025611

Metabolite InformationStructural formula
Name Grisabine
(-)-Grisabine
1-Epicuspidaline
Formula C37H42N2O6
Mw 610.30428709
CAS RN 62057-36-7
C_ID C00025611 ,
InChIKey ZKGBUDJODLZAHS-XLXAPLRVNA-N
InChICode InChI=1S/C37H42N2O6/c1-38-14-12-25-19-35(43-4)32(40)21-28(25)30(38)16-23-6-9-27(10-7-23)45-37-18-24(8-11-34(37)42-3)17-31-29-22-33(41)36(44-5)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m1/s1
SMILES COc1cc2c(cc1O)[C@@H](Cc1ccc(Oc3cc(C[C@H]4c5cc(O)c(OC)cc5CCN4C)ccc3OC)cc1)N(C)CC2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeAbuta grisebachii Triana & Planch Ref.
PlantaeMenispermaceaeSciadotenia eichleriana Miers Ref.
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OrganismSciadotenia eichleriana Miers
ReferenceDamas,J.Nat.Prod.,48,(1985),69