input word = C00046350

Metabolite InformationStructural formula
Name Rathbunioside R2
(+)-Rathbunioside R2
Formula C32H56O9
Mw 584.39243339
CAS RN 350689-92-8
C_ID C00046350 ,
InChIKey QUFRHILJEYKJJI-CAUCAJPGNA-N
InChICode InChI=1S/C32H56O9/c1-16(2)24(41-29-28(38)27(37)23(35)15-40-29)7-6-17(3)21-13-22(34)26-19-12-25(36)32(39)14-18(33)8-11-31(32,5)20(19)9-10-30(21,26)4/h16-29,33-39H,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@]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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeAsterias rathbuni Ref.
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OrganismAsterias rathbuni
ReferenceIvanchina,J.Nat.Prod.,64,(2001),945