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terpentecin

MNXM83672 is deprecated and here replaced by MNXM740779
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740779 Image of MNXM740779
referencechebi:50301
formulaC20H28O6
global charge0
mol weight364.438
InChIKeyISTOHHFNKVUOKP-BRUMOIPRSA-N
InChIInChI=1S/C20H28O6/c1-11-6-5-7-13-18(3,12(2)16(24)17(25)19(11,13)4)8-14(22)20(10-26-20)15(23)9-21/h6,9,12-14,16,22,24H,5,7-8,10H2,1-4H3/t12-,13+,14-,16-,18-,19-,20+/m1/s1
SMILESCC1=CCC[C@@H]2[C@]1(C)C(=O)[C@H](O)[C@@H](C)[C@@]2(C)C[C@@H](O)[C@]1(C(=O)C=O)CO1
MNX internals
InChI (mnx)InChI=1/C20H28O6/c1-11-6-5-7-13-18(3,12(2)16(24)17(25)19(11,13)4)8-14(22)20(10-26-20)15(23)9-21/h6,9,12-14,16,22,24H,5,7-8,10H2,1-4H3/t12-,13+,14-,16-,18-,19-,20+/m1/s1 Image of MNXM740779
SMILES (mnx)[CH3:1][C:11]1=[CH:6][CH2:5][CH2:7][C@H:13]2[C@:18]([CH3:3])([CH2:8][C@H:14]([C@:20]3([C:15]([CH:9]=[O:21])=[O:23])[CH2:10][O:26]3)[OH:22])[C@H:12]([CH3:2])[C@@H:16]([OH:24])[C:17](=[O:25])[C@:19]12[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50301
chebi:50301
lipidmaps:LMPR0104040002
lipidmapsM:LMPR0104040002
ISTOHHFNKVUOKP-BRUMOIPRSA-N 		terpentecin
[(2S)-2-{(1R)-1-hydroxy-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}oxiran-2-yl](oxo)acetaldehyde

kegg.compound:C21093
keggC:C21093
ISTOHHFNKVUOKP-BRUMOIPRSA-N 		Terpentecin

metacyc.compound:CPD-10115
metacycM:CPD-10115
seed.compound:cpd22562
seedM:cpd22562
ISTOHHFNKVUOKP-BRUMOIPRSA-N 		terpentecin

keggC:M_C21093
seedM:M_cpd22562 		secondary/obsolete/fantasy identifier