Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011509
PROPERTIES
| NPAID | NPA011509 |
|---|---|
| CLUSTER ID | 4445 |
| NODE ID | 3263 |
| NAME | Arbusculic acid B |
| FORMULA | C38H42O13 |
| MOLECULAR WEIGHT (Da) | 706.7410 |
| ACCURATE MASS (Da) | 706.2625 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Calcarisporium |
| ORIGIN SPECIES | arbuscula |
| InChIKey | JPEXIAFNQPOCQB-DQYNUQQLSA-N |
| InChI | InChI=1S/C38H42O13/c1-17-18(8-12-39)4-5-24-20(17)6-11-38(50)36(24,2)10-7-27(37(38,3)35(48)49)51-34(47)21(9-13-40)28-26(43)16-23-30(32(28)45)33(46)29-22(31(23)44)14-19(41)15-25(29)42/h4-5,8,14-17,20-21,24,27,39-43,45,50H,6-7,9-13H2,1-3H3,(H,48,49)/b18-8-/t17-,20-,21?,24-,27+,36+,37+,38-/m0/s1 |
| SMILES | C[C@H]1/C(=C\CO)C=C[C@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)[C@H](OC(=O)C(CCO)C3=C(O)C4=C(C=C3O)C(=O)C3=C(C4=O)C(O)=CC(O)=C3)CC[C@]21C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Mao, Xu-Ming; Xu, Wei; Li, Dehai; Yin, Wen-Bing; Chooi, Yit-Heng; Li, Yong-Quan; Tang, Yi; Hu, Youcai Epigenetic genome mining of an endophytic fungus leads to the pleiotropic biosynthesis of natural products Angewandte Chemie International Edition 2015 54 (26) 7592-7596. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201502452 | PMID | 26013262 |
