input word = C00040491

Metabolite InformationStructural formula
Name Tinosposinenside B
(-)-Tinosposinenside B
Formula C28H38O13
Mw 582.2312413
CAS RN 1002325-99-6
C_ID C00040491 ,
InChIKey PESHKZMKILHZFJ-KVABUDKXNA-N
InChICode InChI=1S/C28H38O13/c1-12(30)37-18-8-17(40-27-24(34)23(33)22(32)20(10-29)41-27)15-4-5-16-26(35)39-19(14-6-7-36-11-14)9-28(16,3)21(15)25(18)38-13(2)31/h6-7,11,15-25,27,29,32-34H,4-5,8-10H2,1-3H3/t15-,16+,17-,18+,19+,20+,21+,22-,23+,24-,25+,27-,28-/m1/s1
SMILES CC(=O)O[C@@H]1[C@@H]2[C@H](CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@@]23C)[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeTinospora sinensis Ref.
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