input word = C00024226

Metabolite InformationStructural formula
Name (+)-Neoacrimarine-H
Formula C33H29NO8
Mw 567.18931691
CAS RN 217199-06-9
C_ID C00024226 ,
InChIKey KYDGDSAPWLVOME-RFTMCNCJNA-N
InChICode InChI=1S/C33H29NO8/c1-32(2)14-13-17-22(41-32)15-19(35)24-27(17)34(5)26-18(28(24)37)7-6-8-21(26)39-30-25-20(42-33(3,4)31(30)38)11-9-16-10-12-23(36)40-29(16)25/h6-15,30-31,35,38H,1-5H3/t30-,31-/m0/s1
SMILES c12c(c(cc3c1C=CC(O3)(C)C)O)c(=O)c1c(n2C)c(ccc1)O[C@H]1c2c(OC([C@H]1O)(C)C)ccc1c2oc(=O)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate L-Ala
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
zoom in