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oryzalexin B

PropertiesImage
MNX_IDMNXM148387 Image of MNXM148387
referencemetacycM:CPD-16613
formulaC20H30O2
global charge0
mol weight302.458
InChIKeyPXSLLXAAZWPICX-YMBUTIGBSA-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/h6,12,14-16,21H,1,7-11H2,2-5H3/t14-,15+,16-,19-,20+/m1/s1
SMILESC=C[C@@]1(C)C=C2[C@@H](CC1)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]2O
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/h6,12,14-16,21H,1,7-11H2,2-5H3/t14-,15+,16-,19-,20+/m1/s1 Image of MNXM148387
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@@H:15]([OH:21])[CH2:11][C@@H:16]1[C:18]([CH3:2])([CH3:3])[C:17](=[O: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)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-16613
metacycM:CPD-16613
seed.compound:cpd33837
seedM:cpd33837
PXSLLXAAZWPICX-YMBUTIGBSA-N 		oryzalexin B

seed.compound:cpd28868
seedM:cpd28868 		3-Hydroxy-7-oxy-sandaracopimaradien
3-Hydroxy-7-oxy-sandaracopimaradiene
oryzalexin B
hmdb:HMDB0302100
PXSLLXAAZWPICX-YMBUTIGBSA-N 		Oryzalexin B
(4aS,4bS,7S,9S,10aS)-7-ethenyl-9-hydroxy-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-one
(4aS,4bS,7S,9S,10aS)-7-ethenyl-9-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one

seedM:M_cpd28868
seedM:M_cpd33837 		secondary/obsolete/fantasy identifier