staphyloxanthin

Chemical Formula:

C₅₁H₇₈O₈

Molecular Weight:

819.172 Daltons

Monoisotopic Mass:

818.5696694805999 Daltons

SMILES:

CCC(C)CCCCCCCCCCC(=O)OCC1(C(O)C(O)C(O)C(O1)OC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C)

InChI:

1S/C51H78O8/c1-10-39(4)26-17-15-13-11-12-14-16-18-36-46(52)57-37-45-47(53)48(54)49(55)51(58-45)59-50(56)44(9)35-24-34-43(8)33-23-31-41(6)28-20-19-27-40(5)30-22-32-42(7)29-21-25-38(2)3/h19-20,22-25,27-28,30-35,39,45,47-49,51,53-55H,10-18,21,26,29,36-37H2,1-9H3/b20-19+,30-22+,31-23+,34-24+,40-27+,41-28+,42-32+,43-33+,44-35+/t39?,45-,47-,48+,49-,51+/m1/s1

InChIKey:

PDOUICUKTQRPHO-MENSNCDRSA-N

Synonyms

β-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate)-6-O-(12-methyltetradecanoate)

Databases

MetaCyc: CPD-9916

PubChem (CID): 56928085

MetaboLights: MTBLC71690

ChEBI: 71690

KEGG: C16148

Seed: cpd14869

MetaNetX: MNXM5932