input word = C00025108

Metabolite InformationStructural formula
Name Hernandifoline
Formula C29H33NO9
Mw 539.21553166
CAS RN 33111-00-1
C_ID C00025108 ,
InChIKey DPLFLLZRUDGEES-UXBLZVDNNA-N
InChICode InChI=1S/C29H33NO9/c1-34-18-8-5-15(13-17(18)31)6-10-21(32)38-20-14-28-11-12-30-23-25(16-7-9-19(35-2)24(33)22(16)28)39-29(37-4,26(23)28)27(20)36-3/h5-10,13,20,23,25-27,30-31,33H,11-12,14H2,1-4H3/b10-6+/t20-,23-,25+,26+,27+,28-,29+/m0/s1
SMILES COc1ccc(/C=C/C(=O)OC2CC34CCNC5C(OC(OC)(C2OC)C53)c2ccc(OC)c(O)c24)cc1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeStephania hernandifolia Walp. Ref.
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