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oryzalexin A

PropertiesImage
MNX_IDMNXM65869 Image of MNXM65869
referencechebi:78258
formulaC20H30O2
global charge0
mol weight302.458
InChIKeyQOWLIQGNZBOQNG-JECYIRHJSA-N
InChIInChI=1S/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16-17,22H,1,7-11H2,2-5H3/t14-,16-,17-,19-,20+/m1/s1
SMILESC=C[C@@]1(C)C=C2C(=O)C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1
MNX internals
InChI (mnx)InChI=1/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16-17,22H,1,7-11H2,2-5H3/t14-,16-,17-,19-,20+/m1/s1 Image of MNXM65869
SMILES (mnx)[CH2:1]=[CH:6][C@:19]1([CH3:4])[CH2:9][CH2:7][C@@H:14]2[C:13](=[CH:12]1)[C:15](=[O:21])[CH2:11][C@@H:16]1[C:18]([CH3:2])([CH3:3])[C@H:17]([OH:22])[CH2:8][CH2:10][C@@:20]21[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78258
chebi:78258
QOWLIQGNZBOQNG-JECYIRHJSA-N 		oryzalexin A
(3alpha,5beta,9beta,10alpha)-3-hydroxypimara-8(14),15-dien-7-one
3alpha,7-oxo-ent-sandaracopimaradiene
3alpha-ent-sandaracopimaradien-7-one

kegg.compound:C09148
keggC:C09148
QOWLIQGNZBOQNG-JECYIRHJSA-N 		Oryzalexin A
hmdb:HMDB0301859
QOWLIQGNZBOQNG-JECYIRHJSA-N 		Oryzalexin A
(2R,4aR,4bS,7S,10aS)-7-ethenyl-2-hydroxy-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-9-one
3a,7-oxo-ent-Sandaracopimaradiene
3a-ent-Sandaracopimaradien-7-one
3alpha,7-oxo-ent-Sandaracopimaradiene
3alpha,7-oxo-ent-sandaracopimaradiene
3alpha-ent-Sandaracopimaradien-7-one
3alpha-ent-sandaracopimaradien-7-one
oryzalexin A

seed.compound:cpd06044
seedM:cpd06044
QOWLIQGNZBOQNG-JECYIRHJSA-N 		Oryzalexin A
oryzalexin A

metacyc.compound:CPD-7093
metacycM:CPD-7093
QOWLIQGNZBOQNG-JECYIRHJSA-N 		oryzalexin A

chebi:7796
keggC:M_C09148
seedM:M_cpd06044 		secondary/obsolete/fantasy identifier