input word = C00006817

Metabolite InformationStructural formula
Name Succinylcyanin
Formula C31H35O19
Mw 711.17725394
CAS RN 89148-78-7
C_ID C00006817 ,
InChIKey YSQGNBNHWDRVMN-LJGAITSDNA-O
InChICode InChI=1S/C31H34O19/c32-9-19-23(39)25(41)27(43)30(49-19)47-17-7-12(33)6-16-13(17)8-18(29(46-16)11-1-2-14(34)15(35)5-11)48-31-28(44)26(42)24(40)20(50-31)10-45-22(38)4-3-21(36)37/h1-2,5-8,19-20,23-28,30-32,39-44H,3-4,9-10H2,(H3-,33,34,35,36,37)/p+1/t19-,20+,23+,24+,25-,26-,27+,28+,30+,31+/m0/s1
SMILES O=C(O)CCC(=O)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea cyanus Ref.
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