input word = C00059929

Metabolite InformationStructural formula
Name Isogomphrenin II
Formula C33H32N2O15
Mw 696.18026837
CAS RN 143062-65-1
C_ID C00059929
InChIKey YGLDJHLOOPYMED-UHFFFAOYSA-N
InChICode InChI=1S/C33H32N2O15/c36-18-4-1-15(2-5-18)3-6-26(38)48-14-25-27(39)28(40)29(41)33(50-25)49-24-13-21-17(12-23(24)37)11-22(32(46)47)35(21)8-7-16-9-19(30(42)43)34-20(10-16)31(44)45/h1-9,12-13,20,22,25,27-29,33,36-37,39-41H,10-11,14H2,(H,42,43)(H,44,45)(H,46,47)
SMILES O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc3c(cc2O)CC(C(=O)O)N3C=CC2=CC(C(=O)O)=NC(C(=O)O)C2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeCymbopogon citratus Ref.
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