Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009714
PROPERTIES
| NPAID | NPA009714 |
|---|---|
| CLUSTER ID | 3993 |
| NODE ID | 2978 |
| NAME | IB-01212 |
| FORMULA | C56H88N8O10 |
| MOLECULAR WEIGHT (Da) | 1033.3660 |
| ACCURATE MASS (Da) | 1032.6623 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Clonostachys |
| ORIGIN SPECIES | sp. ESNA-A009 |
| InChIKey | XTOBKTSIRIHFRH-VTWSTLNFSA-N |
| InChI | InChI=1S/C56H88N8O10/c1-35(2)27-43(59(9)10)49(65)57-41-33-73-55(71)47(31-39-23-19-17-20-24-39)63(15)54(70)46(30-38(7)8)62(14)52(68)42(58-50(66)44(60(11)12)28-36(3)4)34-74-56(72)48(32-40-25-21-18-22-26-40)64(16)53(69)45(29-37(5)6)61(13)51(41)67/h17-26,35-38,41-48H,27-34H2,1-16H3,(H,57,65)(H,58,66)/t41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N([C@H](C(=O)OC[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)OC[C@@H](C(=O)N1C)NC(=O)[C@H](CC(C)C)N(C)C)CC2=CC=CC=C2)C)CC(C)C)C)NC(=O)[C@H](CC(C)C)N(C)C)CC3=CC=CC=C3)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cruz, Luis J.; Martinez Insua, Marta; Perez Baz, Julia; Trujillo, Martha; Rodriguez-Mias, Ricard A.; Oliveira, Eliandre; Giralt, Ernest; Albericio, Fernando; Canedo, Librada M. IB-01212, a new cytotoxic cyclodepsipeptide isolated from the marine fungus Clonostachys sp. ESNA-A009 Journal of Organic Chemistry 2006 71 (9) 3335-3338. | ||
|---|---|---|---|
| DOI | 10.1021/jo051600p | PMID | 16626111 |
