input word = C00057406

Metabolite InformationStructural formula
Name Pyranodelphinin C
Formula C35H35O17+
Mw 727.1874247
CAS RN 487021-50-1
C_ID C00057406
InChIKey OTZOQIRIWXIAMN-AEMFKWSQSA-O
InChICode InChI=1S/C35H34O17/c1-12-25(40)28(43)30(45)34(48-12)47-11-23-27(42)29(44)31(46)35(51-23)52-33-17-10-20(13-2-4-15(36)5-3-13)49-21-8-16(37)9-22(24(17)21)50-32(33)14-6-18(38)26(41)19(39)7-14/h2-10,12,23,25,27-31,34-35,40,42-46H,11H2,1H3,(H4-,36,37,38,39,41)/p+1/t12-,23+,25-,27+,28+,29-,30-,31+,34+,35-/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4cc(O)c(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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