input word = C00038264

Metabolite InformationStructural formula
Name 3-O-beta-D-Xylopyranosylstrophanthidin
Formula C28H40O10
Mw 536.2621475
CAS RN 15596-26-6
C_ID C00038264 ,
InChIKey XMNREHIXCIWCGI-UHFFFAOYNA-N
InChICode InChI=1S/C28H40O10/c1-25-6-3-18-19(28(25,35)9-5-17(25)15-10-21(31)36-12-15)4-8-27(34)11-16(2-7-26(18,27)14-29)38-24-23(33)22(32)20(30)13-37-24/h10,14,16-20,22-24,30,32-35H,2-9,11-13H2,1H3/t16-,17-,18-,19+,20+,22+,23+,24-,25+,26-,27+,28-/m1/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)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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