input word = C00057405

Metabolite InformationStructural formula
Name Pyranocyanin C
Formula C35H35O16+
Mw 711.19251007
CAS RN 487021-49-8
C_ID C00057405
InChIKey GCYWUSCEIDQNSA-FGGJFJDVSA-O
InChICode InChI=1S/C35H34O16/c1-13-26(40)28(42)30(44)34(47-13)46-12-24-27(41)29(43)31(45)35(50-24)51-33-18-11-21(14-2-5-16(36)6-3-14)48-22-9-17(37)10-23(25(18)22)49-32(33)15-4-7-19(38)20(39)8-15/h2-11,13,24,26-31,34-35,40-45H,12H2,1H3,(H3-,36,37,38,39)/p+1/t13-,24+,26-,27+,28+,29-,30+,31+,34+,35-/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)[o+]c4cc(O)cc5c4c3C=C(c3ccc(O)cc3)O5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGrossulariaceaeRibes nigrum Ref.
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