input word = C00040563

Metabolite InformationStructural formula
Name Trigonotin C
(+)-Trigonotin C
Formula C33H38O18
Mw 722.20581441
CAS RN 1036375-80-0
C_ID C00040563 ,
InChIKey VZLIQNLXUYMNAA-UZLOGRJRNA-N
InChICode InChI=1S/C33H38O18/c1-44-16-7-12(4-5-15(16)36)20-21-13(8-17(45-2)24(38)28(21)46-3)6-14-22(20)31(43)49-29-25(39)19(10-47-30(14)42)50-33(29,11-35)51-32-27(41)26(40)23(37)18(9-34)48-32/h4-8,18-20,22-23,25-27,29,32,34-41H,9-11H2,1-3H3/t18-,19-,20-,22+,23-,25-,26+,27-,29+,32-,33+/m1/s1
SMILES COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C=C3C(=O)OC[C@H]4OC(CO)(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](OC(=O)[C@@H]32)[C@@H]4O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeTrigonotis peduncularis Ref.
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