input word = C00046349

Metabolite InformationStructural formula
Name Rathbunioside R1
(-)-Rathbunioside R1
Formula C32H56O8
Mw 568.39751876
CAS RN 350689-78-0
C_ID C00046349 ,
InChIKey WRGWWNXPGRAMSC-GLPXJKPINA-N
InChICode InChI=1S/C32H56O8/c1-16(2)26(40-30-29(38)28(37)25(36)15-39-30)7-6-17(3)21-14-24(35)27-19-13-23(34)22-12-18(33)8-10-31(22,4)20(19)9-11-32(21,27)5/h16-30,33-38H,6-15H2,1-5H3/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]2O)[C@@H](CC[C@H](O[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O)C(C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeAsterias rathbuni Ref.
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