Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020677
PROPERTIES
| NPAID | NPA020677 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Helvecardin A |
| FORMULA | C90H103Cl2N9O36 |
| MOLECULAR WEIGHT (Da) | 1957.7470 |
| ACCURATE MASS (Da) | 1955.5883 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudonocardia |
| ORIGIN SPECIES | compacta subsp. helvetica |
| InChIKey | ZVRVZYXIMVTOQM-OAWIYRIWSA-N |
| InChI | InChI=1S/C90H103Cl2N9O36/c1-31-67(108)47(93)27-57(126-31)134-77-38-12-19-52(46(92)22-38)131-54-24-39-23-53(78(54)137-90-80(74(115)71(112)56(30-103)133-90)135-58-28-48(94)68(109)32(2)127-58)129-41-15-8-35(9-16-41)76(136-88-75(116)72(113)70(111)55(29-102)132-88)65(100-81(117)60(95-4)34-6-13-42(14-7-34)130-89-79(125-5)73(114)69(110)33(3)128-89)85(121)97-62(37-11-18-50(106)45(91)21-37)82(118)98-63(39)84(120)96-61-36-10-17-49(105)43(20-36)59-44(25-40(104)26-51(59)107)64(87(123)124)99-86(122)66(77)101-83(61)119/h6-26,31-33,47-48,55-58,60-77,79-80,88-90,95,102-116H,27-30,93-94H2,1-5H3,(H,96,120)(H,97,121)(H,98,118)(H,99,122)(H,100,117)(H,101,119)(H,123,124)/t31-,32-,33-,47-,48-,55+,56-,57+,58-,60-,61-,62+,63-,64?,65+,66+,67+,68+,69-,70+,71-,72-,73+,74-,75+,76+,77-,79+,80-,88+,89+,90-/m1/s1 |
| SMILES | C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O[C@@H]2[C@@H]([C@@H]([C@H](O[C@@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H]7C(=O)NC(C8=CC(=CC(=C8C9=C(C=CC(=C9)[C@H](C(=O)N7)NC(=O)[C@@H]5NC(=O)[C@@H](NC(=O)[C@H]([C@H](C1=CC=C(O4)C=C1)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)NC(=O)[C@@H](C1=CC=C(C=C1)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O)O)OC)NC)C1=CC(=C(C=C1)O)Cl)O)O)O)C(=O)O)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O)N)Cl)CO)O)O)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takeuchi M; Takahashi S; Inukai M; Nakamura T; Kinoshita T Helvecardins A and B, novel glycopeptide antibiotics. II. Structural elucidation Journal of Antibiotics 1991 44 (3) 271-277. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.44.271 | PMID | 2026551 |
