Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032818
PROPERTIES
| NPAID | NPA032818 |
|---|---|
| CLUSTER ID | 892 |
| NODE ID | 773 |
| NAME | Desulfoclethramycin |
| FORMULA | C63H99N3O15 |
| MOLECULAR WEIGHT (Da) | 1138.4910 |
| ACCURATE MASS (Da) | 1137.7076 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | violaceusniger DSM 4137 |
| InChIKey | RPGARLRIXQBHPT-HZXPUPGVSA-N |
| InChI | InChI=1S/C63H99N3O15/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(80)81)61(79)48(4)59(77)37-22-18-14-9-7-5-6-8-13-17-21-36-58(76)47(3)60(78)44-57(75)43-54(72)34-25-33-53(71)42-56(74)41-52(70)32-24-31-50(68)39-49(67)29-23-30-51(69)40-55(73)35-26-38-66-63(64)65/h5-10,12-14,16-25,27-29,32,34,37,45,47-59,61,67-77,79H,11,15,26,30-31,33,35-36,38-44H2,1-4H3,(H,80,81)(H4,64,65,66)/t45-,47-,48-,49+,50+,51-,52-,53-,54+,55+,56+,57+,58-,59+,61-/m0/s1 |
| SMILES | CC(=CC=CC=CCCC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)C=CC=CC=CC=CC=CC=CC[C@H](O)[C@H](C)C(=O)C[C@H](O)C[C@H](O)C=CC[C@H](O)C[C@H](O)C[C@@H](O)C=CC[C@@H](O)C[C@H](O)C=CC[C@H](O)C[C@H](O)CCCN=C(N)N)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hong, Hui; Fill, Taicia; Leadlay, Peter F. A common origin for guanidinobutanoate starter units in antifungal natural products Angewandte Chemie International Edition 2013 52 (49) 13096-13099. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201308136 | PMID | 24218293 |
