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 O[C@@H]1[C@@H](CO)O[C@@H](OC2=C(OC)C=C(CC3=C(C)OC(C=C(O)C(/C=C/C(O)=O)=C4OC)=C4C3=O)C=C2OC)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus domestica Ref.
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