input word = C00045633

Metabolite InformationStructural formula
Name Amurensoside A
Formula C32H56O11S
Mw 648.35433336
CAS RN 115178-52-4
C_ID C00045633 ,
InChIKey OKAHKEMGGOSBJG-UHFFFAOYNA-N
InChICode InChI=1S/C32H56O11S/c1-16(2)25(42-30-29(37)28(36)24(35)15-41-30)7-6-17(3)21-14-26(43-44(38,39)40)27-19-13-23(34)22-12-18(33)8-10-31(22,4)20(19)9-11-32(21,27)5/h16-30,33-37H,6-15H2,1-5H3,(H,38,39,40)/t17-,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@@](C1)([C@H]1[C@H](C[C@@H]2O)[C@H]2[C@](CC1)([C@@H](C[C@@H]2OS(=O)(=O)O)[C@H](C)CC[C@@H](C(C)C)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeAsterias rathbuni Ref.
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