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 Cn1c2c(O[C@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@H]3O)cccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate L-Ala
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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