Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023926
PROPERTIES
| NPAID | NPA023926 |
|---|---|
| CLUSTER ID | 6088 |
| NODE ID | 143 |
| NAME | WS9326H |
| FORMULA | C63H84N12O19 |
| MOLECULAR WEIGHT (Da) | 1313.4300 |
| ACCURATE MASS (Da) | 1312.5976 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | VTJIYRYGZPFXBX-DJWHWHHSSA-N |
| InChI | InChI=1S/C63H84N12O19/c1-7-8-10-17-37-18-13-14-19-39(37)40(63(65)53(73-74-62(63)93)59(90)66-29-46(80)52(84)47(81)31-77)27-49(83)71-51-34(5)94-61(92)44(30-76)70-55(86)43(28-48(64)82)69-58(89)50(33(4)78)72-56(87)42(25-35-15-11-9-12-16-35)67-54(85)41(24-32(2)3)68-57(88)45(75(6)60(51)91)26-36-20-22-38(79)23-21-36/h9-23,26,32-34,40-44,46-47,50-52,76-81,84H,7-8,24-25,27-31,65H2,1-6H3,(H2,64,82)(H,66,90)(H,67,85)(H,68,88)(H,69,89)(H,70,86)(H,71,83)(H,72,87)(H,74,93)/t33-,34+,40-,41-,42+,43-,44-,46+,47+,50-,51-,52-,63-/m0/s1 |
| SMILES | CCCC=CC1=CC=CC=C1[C@H](CC(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C(=CC3=CC=C(C=C3)O)N(C2=O)C)CC(C)C)CC4=CC=CC=C4)[C@H](C)O)CC(=O)N)CO)C)[C@@]5(C(=NNC5=O)C(=O)NC[C@H]([C@@H]([C@@H](CO)O)O)O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bae, Munhyung; Oh, Jedo; Bae, Eun Seo; Oh, Joonseok; Hur, Joonseong; Suh, Young-Ger; Lee, Sang Kook; Shin, Jongheon; Oh, Dong-Chan WS9326H, an Antiangiogenic Pyrazolone-Bearing Peptide from an Intertidal Mudflat Actinomycete Organic Letters 2018 20 (7) 1999-2002. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.8b00546 | PMID | 29557658 |
