Name |
Stephacidin B (-)-Stephacidin B |
Formula |
C52H54N6O8 |
Mw |
890.40031275 |
CAS RN |
360765-75-9 |
C_ID |
C00026832
,
|
InChIKey |
ZKJYVORSURCOMD-IQNGBCNINA-N |
InChICode |
InChI=1S/C52H54N6O8/c1-44(2)19-15-25-29(65-44)13-11-27-33-36-50-28-12-14-30-26(16-20-45(3,4)66-30)35(28)58(64)38(50)47(7,8)31-23-48-17-9-21-54(48)42(61)51(31,53-40(48)59)39(50)56-41(60)49-18-10-22-55(49)43(62)52(36,56)32(24-49)46(5,6)37(33)57(63)34(25)27/h11-16,19-20,31-32,36,39,63H,9-10,17-18,21-24H2,1-8H3,(H,53,59)/t31-,32-,36-,39+,48-,49-,50-,51+,52?/m0/s1 |
SMILES |
[C@@]123C(=O)N4[C@@]5([C@H](C(c6n(c7c8c(ccc7c6[C@H]5[C@@]56c7c(c9c(cc7)OC(C=C9)(C)C)N(=C5C([C@H]5[C@@]7([C@H]46)C(=O)N4CCC[C@]4(C5)C(=O)N7)(C)C)=O)OC(C=C8)(C)C)O)(C)C)C1)C(=O)N2CCC3 |
Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro |
Organism |
Kingdom |
Family |
Species |
Reference |
Fungi | Trichocomaceae | Aspergillus ochraceus WC76446 | Ref. |
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