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dihydromonacolin L

PropertiesImage
MNX_IDMNXM3587 Image of MNXM3587
referencechebi:14158
formulaC19H30O3
global charge0
mol weight306.446
InChIKeyAGNDLYBQPUJADV-VCWNUMGPSA-N
InChIInChI=1S/C19H30O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,12-18,20H,3,6-11H2,1-2H3/t12-,13+,14+,15-,16-,17+,18+/m1/s1
SMILESC[C@@H]1CC[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=C[C@H]2C1
MNX internals
InChI (mnx)InChI=1/C19H30O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,12-18,20H,3,6-11H2,1-2H3/t12-,13+,14+,15-,16-,17+,18+/m1/s1 Image of MNXM3587
SMILES (mnx)[CH3:1][C@@H:12]1[CH2:3][CH2:7][C@H:18]2[C@@H:14]([CH:5]=[CH:4][C@H:13]([CH3:2])[C@@H:17]2[CH2:8][CH2:6][C@@H:16]2[CH2:10][C@@H:15]([OH:20])[CH2:11][C:19](=[O:21])[O:22]2)[CH2:9]1
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:14158
chebi:14158
AGNDLYBQPUJADV-VCWNUMGPSA-N 		dihydromonacolin L
(4R,6R)-6-{2-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one
(4R,6R)-6-{2-[(1S,2S,4aR,6R,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-4-hydroxytetrahydro-2H-pyran-2-one
dihydromonacolin L lactone

kegg.compound:C15536
keggC:C15536
AGNDLYBQPUJADV-VCWNUMGPSA-N 		Dihydromonacolin L

seed.compound:cpd11211
seedM:cpd11211
AGNDLYBQPUJADV-VCWNUMGPSA-N 		Dihydromonacolin L
dihydromonacolin L lactone
dihydromonacolin-L

metacyc.compound:DIHYDROMONACOLIN-L
metacycM:DIHYDROMONACOLIN-L
AGNDLYBQPUJADV-VCWNUMGPSA-N 		dihydromonacolin L lactone

keggC:M_C15536
seedM:M_cpd11211 		secondary/obsolete/fantasy identifier