Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00000574573 | Bronze | Chromomycin&A2 |
CCMSLIB00000574576 | Bronze | Chromomycin&A2 |
COMPOUND NPA005736
PROPERTIES
NPAID | NPA005736 |
---|---|
CLUSTER ID | 1662 |
NODE ID | 1358 |
NAME | Chromomycin A2 |
FORMULA | C59H86O26 |
MOLECULAR WEIGHT (Da) | 1211.3110 |
ACCURATE MASS (Da) | 1210.5407 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | griseus No 7 |
InChIKey | WPLCTUHONLQGIX-TWTCTLMISA-N |
InChI | InChI=1S/C59H86O26/c1-22(2)58(70)85-57-29(9)78-43(21-59(57,11)71)82-37-18-40(74-25(5)49(37)66)81-36-19-42(75-26(6)48(36)65)84-56-33(55(73-13)52(69)47(64)24(4)60)15-31-14-32-16-35(23(3)46(63)44(32)50(67)45(31)51(56)68)80-41-20-38(54(28(8)77-41)79-30(10)61)83-39-17-34(62)53(72-12)27(7)76-39/h14,16,22,24-29,33-34,36-43,47-49,53-57,60,62-67,71H,15,17-21H2,1-13H3/t24-,25-,26-,27-,28-,29+,33+,34-,36-,37-,38-,39-,40+,41+,42+,43+,47+,48-,49-,53+,54+,55+,56+,57+,59+/m1/s1 |
SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)O[C@H]5C[C@H]([C@H]([C@H](O5)C)OC(=O)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)OC)O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@H]([C@@H](O8)C)OC(=O)C(C)C)(C)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Miyamoto, M; Kawamatsu, Y; Kawashima, K; Shinohara, M; Tanaka, K; Tatsuoka, S; Nakanishi, K Chromomycin A2, A3 and A4 Tetrahedron 1967 23 (1) 421-437. | ||
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DOI | 10.1016/s0040-4020(01)83328-7 | PMID | - |