Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010425
PROPERTIES
| NPAID | NPA010425 |
|---|---|
| CLUSTER ID | 375 |
| NODE ID | 339 |
| NAME | Brevione I |
| FORMULA | C27H34O5 |
| MOLECULAR WEIGHT (Da) | 438.5640 |
| ACCURATE MASS (Da) | 438.2406 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | AEGIBONSXCYUQG-OBSXHCQDSA-N |
| InChI | InChI=1S/C27H34O5/c1-14-12-18(28)22-25(6)10-9-20(29)24(4,5)19(25)8-11-26(22,7)27(14)13-17-21(32-27)15(2)16(3)31-23(17)30/h9-10,12,18-19,22,28H,8,11,13H2,1-7H3/t18-,19-,22+,25-,26+,27-/m0/s1 |
| SMILES | CC1=C[C@@H]([C@H]2[C@]([C@]13CC4=C(O3)C(=C(OC4=O)C)C)(CC[C@@H]5[C@@]2(C=CC(=O)C5(C)C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Yan; Ye, Dezan; Shao, Zongze; Cui, Chengbin; Che, Yongsheng A Sterol and Spiroditerpenoids from a Penicillium sp. Isolated from a Deep Sea Sediment Sample Marine Drugs 2012 10 (12) 497-508. | ||
|---|---|---|---|
| DOI | 10.3390/md10020497 | PMID | 22412815 |
