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oryzalexin C

PropertiesImage
MNX_IDMNXM148388 Image of MNXM148388
referencemetacycM:CPD-16614
formulaC20H28O2
global charge0
mol weight300.442
InChIKeyIOCKHKBAJGJHFL-FCNFAXOHSA-N
InChIInChI=1S/C20H28O2/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/h6,12,14,16H,1,7-11H2,2-5H3/t14-,16-,19-,20+/m1/s1
SMILESC=C[C@@]1(C)C=C2C(=O)C[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]2CC1
MNX internals
InChI (mnx)InChI=1/C20H28O2/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/h6,12,14,16H,1,7-11H2,2-5H3/t14-,16-,19-,20+/m1/s1 Image of MNXM148388
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: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-16614
metacycM:CPD-16614
seed.compound:cpd34067
seedM:cpd34067
IOCKHKBAJGJHFL-FCNFAXOHSA-N 		oryzalexin C

seed.compound:cpd28869
seedM:cpd28869 		3,7-Dioxo-sandaracopimaradien
3,7-Dioxo-sandaracopimaradiene
oryzalexin C
hmdb:HMDB0302101
IOCKHKBAJGJHFL-FCNFAXOHSA-N 		Oryzalexin C
(4aR,4bS,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,9-dione
(4aR,4bS,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-4,4b,5,6,10,10a-hexahydro-3H-phenanthrene-2,9-dione

seedM:M_cpd28869
seedM:M_cpd34067 		secondary/obsolete/fantasy identifier