input word = C00031490

Metabolite InformationStructural formula
Name 10-Hydroxycascaroside C
(-)-10-Hydroxycascaroside C
Formula C27H32O14
Mw 580.17920573
CAS RN 740838-53-3
C_ID C00031490 ,
InChIKey BHCKOSBGQAWGRY-JZSSTJAENA-N
InChICode InChI=1S/C27H32O14/c1-9-5-11-16(12(30)6-9)20(33)17-10(27(11,38)25-23(36)21(34)18(31)14(7-28)39-25)3-2-4-13(17)40-26-24(37)22(35)19(32)15(8-29)41-26/h2-6,14-15,18-19,21-26,28-32,34-38H,7-8H2,1H3/t14-,15-,18-,19-,21+,22+,23-,24-,25-,26-,27-/m1/s1
SMILES Cc1cc(O)c2c(c1)[C@@](O)([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum emodi Ref.
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