input word = C00058647

Metabolite InformationStructural formula
Name Pedicularioside A
Formula C34H44O19
Mw 756.24767923
CAS RN 135010-61-6
C_ID C00058647
InChIKey DBGPKDZQZSWQHV-ZOOOYETHSA-N
InChICode InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)31(50-15)48-12-22-28(52-23(40)7-4-16-2-5-18(36)20(38)10-16)29(53-33-30(45)34(46,13-35)14-49-33)27(44)32(51-22)47-9-8-17-3-6-19(37)21(39)11-17/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34+/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaePedicularis muscicola Ref.
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