3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

Chemical Formula:

C₁₉H₂₄O₄

Molecular Weight:

316.396 Daltons

Monoisotopic Mass:

316.1674592588 Daltons

SMILES:

CC1(=CC=C(O)C(O)=C1CC[CH]3([CH]2(C(C)(C(=O)CC2)CCC(=O)3)))

InChI:

1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1

InChIKey:

YUHVBHDSVLKFNI-NJSLBKSFSA-N

Synonyms

Databases

MetaCyc: CPD-13709

DRUGBANK: DB08542

KEGG: C04793

PubChem (CID): 440483

ChEBI: 15896

RefMet: 3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

Seed: cpd02912

MetaNetX: MNXM2606