input word = C00001581

Metabolite InformationStructural formula
Name Amaranthin
Formula C30H34N2O19
Mw 726.17557692
CAS RN 15167-84-7
C_ID C00001581 ,
InChIKey ATSKDYKYMQVTGH-FDNXGPHLNA-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/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)/t12-,14-,17+,18+,19-,20-,21-,22-,23-,24+,29-,30+/m0/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@@H](O[C@@H]1C(=O)O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc1c(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)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAmaranthus caudatus Ref.
PlantaeAmaranthaceaeAmaranthus tricolor Ref.
PlantaeAmaranthaceaeCelosia argentea var.cristata (L.) Kuntze Ref.
PlantaeAmaranthaceaeCelosia argentea var.plumosa (Burvenich) Voss Ref.
PlantaeAmaranthaceaeCelosia cristata Ref.
PlantaeChenopodiaceaeAtriplex hortensis Ref.
PlantaeChenopodiaceaeChenopodium amaranticolor Ref.
zoom in