input word = C00037719

Metabolite InformationStructural formula
Name Randiasaponin II
(+)-Randiasaponin II
Formula C41H66O14
Mw 782.44525682
CAS RN 284684-43-1
C_ID C00037719 ,
InChIKey MJDOOZONFGAIJA-LJNIUZMHNA-N
InChICode InChI=1S/C41H66O14/c1-20-9-14-41(35(49)50)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(37(3,19-43)24(36)10-13-39(25,38)5)54-33-30(48)31(22(44)18-52-33)55-34-29(47)28(46)27(45)23(17-42)53-34/h7,20,22-34,42-48,51H,8-19H2,1-6H3,(H,49,50)/t20-,22+,23-,24-,25-,26+,27-,28+,29-,30-,31+,32-,33+,34+,36-,37+,38-,39-,40-,41+/m1/s1
SMILES [C@H]1(CC[C@]2([C@@H]([C@]1(C)O)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@]3(CC[C@@H]([C@@]1(C)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRandia formosa Ref.
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OrganismRandia formosa
ReferenceSahpaz,Phytochem.,54,(2000),77