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1beta-hydroxy arbusculin A

PropertiesImage
MNX_IDMNXM101522 Image of MNXM101522
referencechebi:66024
formulaC15H22O4
global charge0
mol weight266.337
InChIKeyLVABKRFKENTQBT-SYPGZIFDSA-N
InChIInChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14-,15+/m0/s1
SMILESC=C1C(=O)O[C@@H]2[C@@H]3[C@@](C)(CC[C@@H]12)[C@H](O)CC[C@@]3(C)O
MNX internals
InChI (mnx)InChI=1/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14-,15+/m0/s1 Image of MNXM101522
SMILES (mnx)[CH2:1]=[C:8]1[C@@H:9]2[CH2:4][CH2:6][C@@:14]3([CH3:2])[C@H:10]([OH:16])[CH2:5][CH2:7][C@@:15]([CH3:3])([OH:18])[C@@H:12]3[C@H:11]2[O:19][C:13]1=[O:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66024
chebi:66024
LVABKRFKENTQBT-SYPGZIFDSA-N 		1beta-hydroxy arbusculin A
(3aS,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-5a,9-dimethyl-3-methylidenedecahydronaphtho[1,2-b]furan-2(3H)-one
hmdb:HMDB0037059
LVABKRFKENTQBT-UHFFFAOYSA-N 		1alpha-Hydroxyarbusculin A
1a-Hydroxyarbusculin a
1alpha-hydroxyarbusculin a
1beta-Hydroxyarbusculin a
6,9-dihydroxy-5a,9-dimethyl-3-methylidene-dodecahydronaphtho[1,2-b]furan-2-one
6,9-dihydroxy-5a,9-dimethyl-3-methylidene-octahydronaphtho[1,2-b]furan-2-one
[3AS-(3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-decahydro-6,9-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one

CHEBI:174512
chebi:174512
LVABKRFKENTQBT-UHFFFAOYSA-N 		1alpha-Hydroxyarbusculin A
6,9-dihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzouran-2-one

hmdb:HMDB37059 		secondary/obsolete/fantasy identifier