input word = C00002170

Metabolite InformationStructural formula
Name Haplodimerine
Formula C28H26N2O6
Mw 486.17908658
CAS RN 120931-43-3
C_ID C00002170 ,
InChIKey ZTSCGHFGGQONGE-CTLOWACANA-N
InChICode InChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)/t16-,17+,20+,25-/m1/s1
SMILES COc1ccc2c(OC)c3c(nc2c1OC)O[C@@H]1[C@H]3[C@@H]2c3c(c4ccccc4[nH]c3=O)OC(C)(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum foliosum Ref.
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