input word = C00024219

Metabolite InformationStructural formula
Name (-)-Neoacrimarine-I
Formula C29H25NO9
Mw 531.15293141
CAS RN 217199-07-0
C_ID C00024219 ,
InChIKey MHUAXBOYNZWGTG-LEFKRGDZNA-N
InChICode InChI=1S/C29H25NO9/c1-29(2)28(34)27(22-18(39-29)8-5-13-6-10-20(32)37-25(13)22)38-26-19(36-4)9-7-15-23(26)30-16-11-14(35-3)12-17(31)21(16)24(15)33/h5-12,27-28,31,34H,1-4H3,(H,30,33)/t27-,28-/m0/s1
SMILES c1(ccc2c(c1O[C@H]1c3c(OC([C@H]1O)(C)C)ccc1c3oc(=O)cc1)[nH]c1c(c2=O)c(cc(c1)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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