input word = C00018406

Metabolite InformationStructural formula
Name 4-O-Demethyl-11-deoxydoxorubicin
Formula C26H27NO10
Mw 513.16349609
CAS RN 81382-05-0
C_ID C00018406 ,
InChIKey ROILTUODAPUWLG-ZHGVYGFONA-N
InChICode InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18+,22+,26+/m1/s1
SMILES C1[C@](Cc2c([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)N)O)C)c(c1c(c2)C(=O)c2c(C1=O)c(ccc2)O)O)(O)C(=O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces peucetius var. aureus Ref.
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OrganismStreptomyces peucetius var. aureus
ReferenceCassinelli,J. Antibiotics,35,(1982),176