input word = C00001589

Metabolite InformationStructural formula
Name Gomphrenin-V
Formula C34H34N2O16
Mw 726.19083306
CAS RN 16955-52-5
C_ID C00001589 ,
InChIKey PZVSGHKONASTEC-KKSFKVMBNA-N
InChICode InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-13-20-17(12-23(25)38)11-21(33(47)48)36(20)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1
SMILES Oc1c(cc2c(c1)C[C@H](/[N+]/2=C\C=C\1/C[C@H](NC(=C1)C(=O)O)C(=O)O)C(=O)[O-])O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeGomphrena globosa Ref.
zoom in



OrganismGomphrena globosa
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter18