input word = C00056953

Metabolite InformationStructural formula
Name Purunuside A
Formula C29H32O14
Mw 604.17920573
CAS RN 1221446-44-1
C_ID C00056953
InChIKey LCVHQNVGCMUVQC-NIITYMLSSA-N
InChICode InChI=1S/C29H32O14/c1-12-15(23(34)22-17(41-12)10-16(31)14(27(22)40-4)5-6-21(32)33)7-13-8-18(38-2)28(19(9-13)39-3)43-29-26(37)25(36)24(35)20(11-30)42-29/h5-6,8-10,20,24-26,29-31,35-37H,7,11H2,1-4H3,(H,32,33)/b6-5+/t20-,24-,25+,26-,29+/m1/s1
SMILES COc1cc(Cc2c(C)oc3cc(O)c(/C=C/C(=O)O)c(OC)c3c2=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus domestica Ref.
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