input word = C00027312

Metabolite InformationStructural formula
Name Cavanine
Formula C36H34N2O7
Mw 606.23660146
CAS RN 276864-66-5
C_ID C00027312 ,
InChIKey RUJPHXSNWQFEMF-VAILLKAFNA-N
InChICode InChI=1S/C36H34N2O7/c1-38-16-14-23-19-28(42-3)34(43-4)36-29(23)26(38)17-20-5-9-24(10-6-20)44-35-30-22(18-27(41-2)33(35)40)13-15-37-31(30)32(39)21-7-11-25(45-36)12-8-21/h5-13,15,18-19,26,32,39-40H,14,16-17H2,1-4H3/t26-,32-/m1/s1
SMILES COc1cc2ccnc3c2c(c1O)Oc1ccc(cc1)C[C@@H]1c2c(cc(OC)c(OC)c2Oc2ccc(cc2)C3O)CCN1C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeSciadotenia toxifera Ref.
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