input word = C00055440

Metabolite InformationStructural formula
Name Anzurogenin C
Formula C27H42O7
Mw 478.2930537
CAS RN 125445-37-6
C_ID C00055440
InChIKey JYSZQOPMKVJFGC-RNEBUZLUSA-N
InChICode InChI=1S/C27H42O7/c1-13-12-33-27(11-18(13)28)14(2)23-21(34-27)8-17-15-7-22(31)26(32)10-20(30)19(29)9-25(26,4)16(15)5-6-24(17,23)3/h13-21,23,28-30,32H,5-12H2,1-4H3/t13-,14-,15+,16-,17-,18-,19+,20+,21-,23-,24-,25+,26+,27+/m0/s1
SMILES C[C@H]1CO[C@]2(C[C@@H]1O)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium stipitatum Ref.
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OrganismAllium stipitatum
ReferenceVollerner, Y.S. et al., Chem. Nat. Compd. (Engl. Transl.), 1989, 25, 431-435 (Anzurogenin C, Anzuroside)