Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000163
PROPERTIES
| NPAID | NPA000163 |
|---|---|
| CLUSTER ID | 57 |
| NODE ID | 53 |
| NAME | 21-O-Deacetylcytochalasin Q |
| FORMULA | C28H35NO5 |
| MOLECULAR WEIGHT (Da) | 465.5900 |
| ACCURATE MASS (Da) | 465.2515 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | sp. SCSIO 156 |
| InChIKey | RERIIFVZOREWKX-DMYKZJMJSA-N |
| InChI | InChI=1S/C28H35NO5/c1-16-9-8-12-19-24-27(4,34-24)17(2)22-20(15-18-10-6-5-7-11-18)29-25(32)28(19,22)21(30)13-14-26(3,33)23(16)31/h5-8,10-14,16-17,19-22,24,30,33H,9,15H2,1-4H3,(H,29,32)/b12-8-,14-13-/t16-,17-,19-,20-,21+,22-,24-,26+,27+,28?/m0/s1 |
| SMILES | C[C@H]1C/C=C\[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4C2([C@@H](/C=C\[C@@](C1=O)(C)O)O)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 | - |
