| Name |
Heptaibin |
| Formula |
C76H118N16O19 |
| Mw |
1558.87591571 |
| CAS RN |
291311-47-2 |
| C_ID |
C00015630
, 
|
| InChIKey |
OESVNVWXOTVKHT-ORJWQESFNA-N |
| InChICode |
InChI=1S/C76H118N16O19/c1-41(2)32-50(81-55(98)37-78-62(104)56(42(3)4)83-64(106)71(8,9)88-67(109)74(14,15)89-65(107)72(10,11)85-59(101)51(79-43(5)94)34-45-28-24-21-25-29-45)58(100)84-73(12,13)66(108)90-76(18,19)69(111)91-38-47(95)35-52(91)60(102)82-49(30-31-54(77)97)57(99)86-75(16,17)68(110)92-39-48(96)36-53(92)61(103)87-70(6,7)63(105)80-46(40-93)33-44-26-22-20-23-27-44/h20-29,41-42,46-53,56,93,95-96H,30-40H2,1-19H3,(H2,77,97)(H,78,104)(H,79,94)(H,80,105)(H,81,98)(H,82,102)(H,83,106)(H,84,100)(H,85,101)(H,86,99)(H,87,103)(H,88,109)(H,89,107)(H,90,108)/t46-,47+,48+,49-,50-,51+,52-,53-,56-/m0/s1 |
| SMILES |
CC(=O)NC(Cc1ccccc1)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@H](O)CC1C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C)(C)C(=O)N[C@H](CO)Cc1ccccc1)C(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Ala L-Asp L-Phe L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Incertae sedis | Emericellopsis sp. BAUA8289 | Ref. |
|
|
zoom in
| Organism | Emericellopsis sp. BAUA8289 |
|---|
| Reference | Ishiyama,J.Antibiotics 53,(2000),728 |
|---|
|
