Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020676
PROPERTIES
| NPAID | NPA020676 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Helvecardin B |
| FORMULA | C84H93Cl2N9O31 |
| MOLECULAR WEIGHT (Da) | 1795.6060 |
| ACCURATE MASS (Da) | 1793.5355 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudonocardia |
| ORIGIN SPECIES | compacta subsp. helvetica |
| InChIKey | MVUXVKWQCKGLNW-CGHFJKKVSA-N |
| InChI | InChI=1S/C84H93Cl2N9O31/c1-30-65(101)46(87)27-55(117-30)124-72-37-12-19-51(45(86)22-37)122-53-24-38-23-52(73(53)126-84-75(71(107)69(105)54(29-96)123-84)125-56-28-47(88)66(102)31(2)118-56)120-40-15-8-34(9-16-40)68(104)63(94-76(108)58(89-4)33-6-13-41(14-7-33)121-83-74(116-5)70(106)67(103)32(3)119-83)80(112)91-60(36-11-18-49(99)44(85)21-36)77(109)92-61(38)79(111)90-59-35-10-17-48(98)42(20-35)57-43(25-39(97)26-50(57)100)62(82(114)115)93-81(113)64(72)95-78(59)110/h6-26,30-32,46-47,54-56,58-72,74-75,83-84,89,96-107H,27-29,87-88H2,1-5H3,(H,90,111)(H,91,112)(H,92,109)(H,93,113)(H,94,108)(H,95,110)(H,114,115)/t30-,31+,32-,46-,47+,54-,55+,56+,58+,59+,60+,61-,62?,63+,64-,65-,66+,67-,68+,69+,70+,71+,72-,74-,75-,83+,84-/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)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 |
