input word = C00017184

Metabolite InformationStructural formula
Name alpha-Rubicin I
Alldimycin C
Alpharubicin I
Formula C28H33NO10
Mw 543.21044628
CAS RN 94818-02-7
C_ID C00017184 ,
InChIKey KCTUFQSEBNXSCY-CYTSVHCONA-N
InChICode InChI=1S/C28H33NO10/c1-5-28(37)10-17(32)12-8-13-19(26(36)22-16(31)7-6-15(30)21(22)24(13)34)25(35)20(12)27(28)39-18-9-14(29(3)4)23(33)11(2)38-18/h6-8,11,14,17-18,23,27,30-33,35,37H,5,9-10H2,1-4H3/t11-,14+,17+,18+,23+,27+,28-/m0/s1
SMILES CC[C@@]1(O)CC(O)c2cc3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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OrganismStreptomyces violaceus
ReferenceJohdo,J.Antibiotics 44,(1991),1110