input word = C00054803

Metabolite InformationStructural formula
Name Anzurogenin D
Formula C27H44O5
Mw 448.31887452
CAS RN 56816-69-4
C_ID C00054803
InChIKey JYLQYOXTEAKERB-BLXNOBIPSA-N
InChICode InChI=1S/C27H44O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-11-22(29)26(30)13-17(28)6-9-25(26,4)19(18)7-8-24(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21+,22-,23+,24+,25-,26+,27-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)C[C@@H](O)CC[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
ReferenceKravets, S.D.Khim. Prir. Soedin., 1994, 30, 443

Chem. Nat. Compd. (Engl. Transl.), 408 (isol, pmr)