Name |
Avidinorubicin |
Formula |
C60H86N4O22 |
Mw |
1214.57337046 |
CAS RN |
135447-13-1 |
C_ID |
C00017100
,
|
InChIKey |
XMRHMVSZMLOUMS-UHFFFAOYNA-N |
InChICode |
InChI=1S/C60H86N4O22/c1-24-45(68)31(63(9)10)18-36(76-24)80-33-21-57(5,74)20-29-40(33)48(71)42-43(47(29)70)49(72)41-28(46(42)69)14-15-30-52(41)85-56-50(73)44(64(11)12)55(60(30,8)86-56)84-39-23-59(7,62)54(27(4)79-39)83-38-22-58(6,61)53(26(3)78-38)82-37-19-32(75-13)51(25(2)77-37)81-35(67)17-16-34(65)66/h14-15,24-27,31-33,36-39,44-45,50-51,53-56,68,70-71,73-74H,16-23,61-62H2,1-13H3,(H,65,66)/t24-,25+,26-,27-,31-,32-,33+,36+,37-,38+,39+,44+,45-,50-,51-,53+,54+,55-,56+,57-,58+,59+,60+/m1/s1 |
SMILES |
c12c(c(c3c(c1O)C(=O)c1c(C3=O)ccc3c1O[C@@H]1[C@@H]([C@@H]([C@H]([C@]3(O1)C)O[C@H]1C[C@]([C@H]([C@H](O1)C)O[C@H]1C[C@]([C@H]([C@H](O1)C)O[C@@H]1C[C@H]([C@@H]([C@@H](O1)C)OC(=O)CCC(=O)O)OC)(C)N)(C)N)N(C)C)O)O)[C@H](C[C@](C2)(C)O)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)N(C)C)O)C |
Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
Organism |
Kingdom |
Family |
Species |
Reference |
Bacteria | Streptomycetaceae | Streptomyces avidinii NR0576 | Ref. |
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zoom in
Organism | Streptomyces avidinii NR0576 | Reference | Aoki,J. Antibiotics,44,(1991),635 |
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