input word = C00040274

Metabolite InformationStructural formula
Name Seguinoside I
Formula C27H38O13
Mw 570.2312413
CAS RN 257887-75-5
C_ID C00040274 ,
InChIKey UGWLQZKGUNBHIP-DELZKYAANA-N
InChICode InChI=1S/C27H38O13/c1-4-26(3,34)11-5-6-15(2)23(33)36-13-27(35)14-37-25(22(27)32)40-21-20(31)19(30)18(12-28)39-24(21)38-17-9-7-16(29)8-10-17/h4,6-10,18-22,24-25,28-32,34-35H,1,5,11-14H2,2-3H3/b15-6+/t18-,19-,20+,21-,22+,24-,25+,26-,27-/m1/s1
SMILES C=CC(C)(O)CC/C=C(C)C(=O)OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeMyrsine seguinii Ref.
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