input word = C00028103

Metabolite InformationStructural formula
Name Crooksiine
O17-Demethylcimiciphytine
Formula C36H40N4O7
Mw 640.28969966
CAS RN 135574-52-6
C_ID C00028103 ,
InChIKey QSQOMVAEIKPRDK-UHFFFAOYNA-N
InChICode InChI=1S/C36H40N4O7/c1-37-16-13-33(20-6-4-7-23(41)28(20)40-26(42)9-8-25(37)35(33,40)45)22-18-21-29(30(44)31(22)46-3)38(2)24-10-12-32-11-5-15-39-17-14-34(21,24)36(32,39)47-27(43)19-32/h4,6-7,10,12,18,24-25,41,44-45H,5,8-9,11,13-17,19H2,1-3H3/t24-,25-,32-,33-,34-,35+,36+/m1/s1
SMILES COc1c(C23CCN(C)C4CCC(=O)N(c5c(O)cccc52)C43O)cc2c(c1O)N(C)C1C=CC34CCCN5CCC21C53OC(=O)C4
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHaplophyton crooksii Ref.
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