input word = C00038263

Metabolite InformationStructural formula
Name 3-O-beta-D-Xylopyranosylperiplogenin
Formula C28H42O9
Mw 522.28288294
CAS RN 71558-57-1
C_ID C00038263 ,
InChIKey PJCAANBWOIEGPP-UHFFFAOYNA-N
InChICode InChI=1S/C28H42O9/c1-25-7-3-16(37-24-23(32)22(31)20(29)14-36-24)12-27(25,33)9-5-19-18(25)4-8-26(2)17(6-10-28(19,26)34)15-11-21(30)35-13-15/h11,16-20,22-24,29,31-34H,3-10,12-14H2,1-2H3/t16-,17+,18+,19-,20+,22+,23+,24-,25+,26-,27-,28+/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@H]1[C@H](CC2)[C@]2([C@@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O)O[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSaussurea stella Maxim. Ref.
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