Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020152
PROPERTIES
| NPAID | NPA020152 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Arbumelin |
| FORMULA | C44H63N9O12 |
| MOLECULAR WEIGHT (Da) | 910.0390 |
| ACCURATE MASS (Da) | 909.4596 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Calcarisporium |
| ORIGIN SPECIES | arbuscula |
| InChIKey | NEYOGVGZRXFARK-PUSNUYKRSA-N |
| InChI | InChI=1S/C44H63N9O12/c1-23(2)16-30-41(61)52-37(24(3)4)43(63)47-19-34(56)45-20-35(57)49-33(22-54)42(62)53-38(25(5)6)44(64)51-31(17-27-10-14-29(65-7)15-11-27)39(59)46-21-36(58)48-32(40(60)50-30)18-26-8-12-28(55)13-9-26/h8-15,23-25,30-33,37-38,54-55H,16-22H2,1-7H3,(H,45,56)(H,46,59)(H,47,63)(H,48,58)(H,49,57)(H,50,60)(H,51,64)(H,52,61)(H,53,62)/t30-,31+,32-,33-,37-,38+/m0/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)CC3=CC=C(C=C3)OC)C(C)C)CO)C(C)C |
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 |
