input word = C00016729

Metabolite InformationStructural formula
Name N-Carboxydaunorubicin methyl ester
NSC 143113
Rubomycin H
Formula C29H31NO12
Mw 585.18462546
CAS RN 38942-79-9
C_ID C00016729 ,
InChIKey UREDLESXYCYDOH-UHFFFAOYNA-N
InChICode InChI=1S/C29H31NO12/c1-11-23(32)15(30-28(37)40-4)8-18(41-11)42-17-10-29(38,12(2)31)9-14-20(17)27(36)22-21(25(14)34)24(33)13-6-5-7-16(39-3)19(13)26(22)35/h5-7,11,15,17-18,23,32,34,36,38H,8-10H2,1-4H3,(H,30,37)/t11-,15-,17-,18+,23+,29-/m0/s1
SMILES COC(=O)NC1CC(OC2CC(O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces coeruleorubidus Ref.
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OrganismStreptomyces coeruleorubidus
ReferenceFomichova,J.Antibiotics 45,(1992),1185