input word = C00016576

Metabolite InformationStructural formula
Name Chivosazol A
Chivosazole A
Formula C49H71NO12
Mw 865.49762674
CAS RN 169181-40-2
C_ID C00016576 ,
InChIKey OVMUGRSUGHRYEC-GRMCHMMANA-N
InChICode InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12-,14-11+,21-15+,22-16+,23-19+,24-17-,25-20+,26-18+,31-27-/t32-,33+,34+,35+,36-,37-,39-,40+,41-,42-,44-,45+,46+,47?,49-/m1/s1
SMILES COC1CC(O)/C=CC=C/C=C/C(C)C(C(C)C(O)CC(C)O)OC(=O)/C=C/C=C/C=C/C(C)=CC(C)C(O[C@H]2OC(C)[C@@H](O)[C@H](OC)C2OC)/C=C/C=C/c2coc(n2)C1C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaPolyangiaceaePolyangium cellulosum So ce12 Ref.
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OrganismPolyangium cellulosum So ce12
ReferenceIrschik,J.Antibiotics 48,(1995),962