input word = C00027294

Metabolite InformationStructural formula
Name Aristophyllide B
Formula C32H31NO8
Mw 557.20496697
CAS RN 221148-61-4
C_ID C00027294 ,
InChIKey XXQZGCCUBVSBKJ-TWFJWYQINA-N
InChICode InChI=1S/C32H31NO8/c1-6-32(4)12-8-9-20(29(32)18(2)16-34)13-19(3)41-31(35)23-15-26-30(40-17-39-26)28-21-10-7-11-25(38-5)22(21)14-24(27(23)28)33(36)37/h6-7,9-11,14-16,19,29H,1-2,8,12-13,17H2,3-5H3/t19-,29-,32+/m1/s1
SMILES c1cc(c2c(c1)c1c(c(c2)N(=O)=O)c(cc2c1OCO2)C(=O)O[C@@H](CC1=CCC[C@]([C@@H]1C(=C)C=O)(C)C=C)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia heterophylla Ref.
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