input word = C00050861

Metabolite InformationStructural formula
Name Isoamaranthin
Formula C30H34N2O19
Mw 726.17557692
CAS RN 15229-42-2
C_ID C00050861
InChIKey ONIYPPKFUJAFAY-OWOJBTEDNA-N
InChICode InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33-39H,4-5,8H2,(H,40,41)(H,42,43)(H,44,45)(H,46,47)
SMILES O=COC1=NC(OC=O)CC(/C=C/N2c3cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(OC=O)C(O)C(O)C4O)cc3CC2OC=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeGomphrena globosa Ref.
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