Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577811 | Gold | 3 |
COMPOUND NPA005141
PROPERTIES
| NPAID | NPA005141 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Verrucamide D |
| FORMULA | C66H110N14O18 |
| MOLECULAR WEIGHT (Da) | 1387.6860 |
| ACCURATE MASS (Da) | 1386.8123 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | verrucaria |
| InChIKey | HRWLTBUENCFLGG-QHCIBDNUSA-N |
| InChI | InChI=1S/C66H110N14O18/c1-32(2)47-63(95)77(18)44(31-82)61(93)78(19)52(37(11)12)58(90)69-42(30-81)56(88)72-50(35(7)8)64(96)76(17)43(27-41-25-23-22-24-26-41)57(89)68-29-46(86)71-48(33(3)4)65(97)79(20)53(39(14)83)60(92)74-51(36(9)10)66(98)80(21)54(40(15)84)59(91)73-49(34(5)6)62(94)75(16)38(13)55(87)67-28-45(85)70-47/h22-26,32-40,42-44,47-54,81-84H,27-31H2,1-21H3,(H,67,87)(H,68,89)(H,69,90)(H,70,85)(H,71,86)(H,72,88)(H,73,91)(H,74,92)/t38-,39?,40?,42+,43-,44+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1 |
| SMILES | C[C@@H]1C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1C)C(C)C)C(C)O)C)C(C)C)C(C)O)C)C(C)C)CC2=CC=CC=C2)C)C(C)C)CO)C(C)C)C)CO)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zou, Xianwei; Niu, Shubin; Ren, Jinwei; Li, Erwei; Liu, Xingzhong; Che, Yongsheng Verrucamides A-D, antibacterial cyclopeptides from Myrothecium verrucaria Journal of Natural Products 2011 74 (5) 1111-1116. | ||
|---|---|---|---|
| DOI | 10.1021/np200050r | PMID | 21539317 |
