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

Properties

Image

Occurences in reactions

MNX_ID

MNXM2606

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₁₉H₂₄O₄

charge

mass

316.16746

reference

InChIKey

YUHVBHDSVLKFNI-NJSLBKSFSA-N

InChI

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

SMILES

Cc1ccc(O)c(O)c1CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15896 chebi:15896	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
envipath:...a34b713dabcb envipathM:...a34b713dabcb kegg.compound:C04793 keggC:C04793	3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
sabiork.compound:7572 sabiorkM:7572	3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 3,4-DHSA
seed.compound:cpd02912 seedM:cpd02912	3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 3,4-DHSA 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
SLM:000390222 slm:000390222	3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
metacyc.compound:CPD-13709 metacycM:CPD-13709	3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 3,4-DHSA
lipidmaps:LMST02020062 lipidmapsM:LMST02020062	3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione O4 ST 19:4
chebi:11690 chebi:1376 chebi:19876 keggC:M_C04793 seedM:M_cpd02912	secondary/obsolete/fantasy identifier