Name |
Quinomycin B |
Formula |
C53H68N12O12S2 |
Mw |
1128.45210719 |
CAS RN |
13602-52-3 |
C_ID |
C00018693
,
|
InChIKey |
RDXUWMJKBKETFO-UHFFFAOYNA-N |
InChICode |
InChI=1S/C53H68N12O12S2/c1-12-27(3)40-51(74)76-24-38(61-44(67)36-23-55-32-19-15-17-21-34(32)59-36)46(69)57-30(6)48(71)65(10)42-50(73)64(9)41(28(4)13-2)52(75)77-25-37(60-43(66)35-22-54-31-18-14-16-20-33(31)58-35)45(68)56-29(5)47(70)62(7)39(49(72)63(40)8)26-79-53(42)78-11/h14-23,27-30,37-42,53H,12-13,24-26H2,1-11H3,(H,56,68)(H,57,69)(H,60,66)(H,61,67)/t27-,28-,29-,30+,37-,38-,39-,40-,41+,42+,53+/m1/s1 |
SMILES |
c12c(nc(cn1)C(=O)N[C@@H]1COC(=O)[C@@H](N(C(=O)[C@H]3[C@H](SC[C@@H](N(C(=O)[C@H](NC1=O)C)C)C(=O)N([C@@H](C(=O)OC[C@H](C(=O)N[C@H](C(=O)N3C)C)NC(=O)c1nc3c(nc1)cccc3)[C@@H](CC)C)C)SC)C)[C@H](C)CC)cccc2 |
Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
Organism |
Kingdom |
Family |
Species |
Reference |
Bacteria | Streptomycetaceae | Streptomyces No. 732 | Ref. |
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