Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009642
PROPERTIES
| NPAID | NPA009642 |
|---|---|
| CLUSTER ID | 57 |
| NODE ID | 53 |
| NAME | 18‐deoxycytochalasin Q |
| FORMULA | C30H37NO5 |
| MOLECULAR WEIGHT (Da) | 491.6280 |
| ACCURATE MASS (Da) | 491.2672 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | sp. SCSIO 156 |
| InChIKey | BKYYCQITLVBDMY-HPZAJDBKSA-N |
| InChI | InChI=1S/C30H37NO5/c1-17-10-9-13-22-27-29(5,36-27)19(3)25-23(16-21-11-7-6-8-12-21)31-28(34)30(22,25)24(35-20(4)32)15-14-18(2)26(17)33/h6-9,11-15,17-19,22-25,27H,10,16H2,1-5H3,(H,31,34)/b13-9-,15-14-/t17-,18-,19-,22-,23-,24+,25-,27-,29+,30+/m0/s1 |
| SMILES | C[C@H]1C/C=C\[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2([C@@H](/C=C\[C@@H](C1=O)C)OC(=O)C)C(=O)N[C@H]4CC5=CC=CC=C5)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Ziming; Huang, Hongbo; Chen, Yuchan; Wang, Zhongwen; Ma, Junying; Wang, Bo; Zhang, Weimin; Zhang, Changsheng; Ju, Jianhua New Cytochalasins from the Marine-Derived Fungus Xylaria sp. SCSIO 156 Helvetica Chimica Acta 2011 94 (9) 1671-1676. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.201100051 | PMID | - |
