Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA012774
PROPERTIES
NPAID | NPA012774 |
---|---|
CLUSTER ID | 4191 |
NODE ID | 2587 |
NAME | Erythrolic acid B |
FORMULA | C29H40O7 |
MOLECULAR WEIGHT (Da) | 500.6320 |
ACCURATE MASS (Da) | 500.2774 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Erythrobacter |
ORIGIN SPECIES | sp. |
InChIKey | GCHOHSURWKHMBA-FLXCRFBSSA-N |
InChI | InChI=1S/C29H40O7/c1-20(10-13-23-19-24(28(34)35)14-15-25(23)30)7-5-8-21(2)11-16-26(31)29(4,36)18-6-9-22(3)12-17-27(32)33/h8,10,12,14-15,19,30,36H,5-7,9,11,13,16-18H2,1-4H3,(H,32,33)(H,34,35)/b20-10+,21-8+,22-12-/t29-/m1/s1 |
SMILES | C/C(=C\CC/C(=C/CC1=C(C=CC(=C1)C(=O)O)O)/C)/CCC(=O)[C@@](C)(CCC/C(=C\CC(=O)O)/C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Hu, Youcai; Legako, Aaron G.; Espindola, Ana Paula D.M.; MacMillan, John B. Erythrolic acids A-E, meroterpenoids from a marine-derived erythrobacter sp Journal of Organic Chemistry 2012 77 (7) 3401-3407. | ||
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DOI | 10.1021/jo300197z | PMID | 22384985 |