input word = C00057408

Metabolite InformationStructural formula
Name Pyranodelphinin D
Formula C29H25O13+
Mw 581.12951589
CAS RN 487021-54-5
C_ID C00057408
InChIKey OQMUNTFARKWJSI-RKVVMDMESA-O
InChICode InChI=1S/C29H24O13/c30-10-21-24(36)25(37)26(38)29(41-21)42-28-15-9-18(11-1-3-13(31)4-2-11)39-19-7-14(32)8-20(22(15)19)40-27(28)12-5-16(33)23(35)17(34)6-12/h1-9,21,24-26,29-30,36-38H,10H2,(H4-,31,32,33,34,35)/p+1/t21-,24-,25+,26-,29+/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)[o+]c3cc(O)cc4c3c2C=C(c2ccc(O)cc2)O4)[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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