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oryzalexin E

Properties

Image

Occurences in reactions

MNX_ID

MNXM128897

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₂₀H₃₂O₂

charge

mass

304.24023

reference

InChIKey

RGLTYROISYBKIW-BDUQCRIQSA-N

InChI

InChI=1S/C20H32O2/c1-6-18(4)11-12-20(22)14(13-18)7-8-15-17(2,3)16(21)9-10-19(15,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15-,16-,18-,19-,20+/m1/s1

SMILES

C=C[C@@]1(C)C=C2CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@]2(O)CC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78259 chebi:78259	oryzalexin E (3alpha,5beta,9beta,10alpha)-pimara-8(14),15-diene-3,9-diol 3alpha,9beta-dihydroxy-ent-sandaracopimaradiene ent-sandaracopimaradien-3alpha,7beta-diol
hmdb:HMDB0039702	Oryzalexin E (2R,4aR,4bS,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,4b-diol (2R,4aR,4bS,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-2,4b-diol 3a,9b-Dihydroxy-ent-sandaracopimaradiene 3alpha,9beta-Dihydroxy-ent-sandaracopimaradiene 3alpha,9beta-dihydroxy-ent-sandaracopimaradiene ent-Sandaracopimaradien-3a,7b-diol ent-Sandaracopimaradien-3alpha,7beta-diol
kegg.compound:C21561 keggC:C21561	Oryzalexin E (3R,4aR,4bS,7S,10aR)-7-Ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2,4b-diol ent-Sandaracopimaradiene-3beta,9alpha-diol
metacyc.compound:CPD-16611 metacycM:CPD-16611 seed.compound:cpd28862 seedM:cpd28862 seed.compound:cpd33473 seedM:cpd33473	oryzalexin E
hmdb:HMDB39702 keggC:M_C21561 seedM:M_cpd28862 seedM:M_cpd33473	secondary/obsolete/fantasy identifier