input word = C00024266

Metabolite InformationStructural formula
Name Neoacrimarine-K
Formula C31H29NO9
Mw 559.18423153
CAS RN 217199-09-2
C_ID C00024266 ,
InChIKey XRRKNHPPSZSNHE-VZOBPTPFNA-N
InChICode InChI=1S/C31H29NO9/c1-31(2,36)30-24(23-17(40-30)10-7-14-8-12-20(34)41-28(14)23)22-19(38-5)13-16(33)21-26(22)32(3)25-15(27(21)35)9-11-18(37-4)29(25)39-6/h7-13,24,30,33,36H,1-6H3/t24-,30-/m0/s1
SMILES c1cc(c(c2c1c(=O)c1c(n2C)c(c(cc1O)OC)[C@H]1c2c(O[C@@H]1C(C)(O)C)ccc1c2oc(=O)cc1)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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