input word = C00034089

Metabolite InformationStructural formula
Name Oreosolenoside
Formula C32H40O17
Mw 696.22654986
CAS RN 1048680-17-6
C_ID C00034089 ,
InChIKey LHEWQIBORVAWFM-PEHRBNDLNA-N
InChICode InChI=1S/C32H40O17/c1-13-21(38)26(44-14(2)35)27(46-19(37)8-5-15-3-6-16(36)7-4-15)31(43-13)47-25-17-9-10-42-29(20(17)32(12-34)28(25)49-32)48-30-24(41)23(40)22(39)18(11-33)45-30/h3-10,13,17-18,20-31,33-34,36,38-41H,11-12H2,1-2H3/b8-5+/t13-,17-,18+,20+,21-,22+,23-,24+,25-,26+,27+,28-,29-,30-,31-,32+/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeOreosolen wattii Ref.
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