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lucidenic acid N

PropertiesImage
MNX_IDMNXM106318 Image of MNXM106318
referencechebi:66595
formulaC27H40O6
global charge0
mol weight460.611
InChIKeyYBGBNHHXOJXFNM-UQCMLMITSA-N
InChIInChI=1S/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,19+,25+,26-,27+/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
MNX internals
InChI (mnx)InChI=1/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,19+,25+,26-,27+/m1/s1 Image of MNXM106318
SMILES (mnx)[CH3:1][C@H:14]([CH2:7][CH2:8][C:21](=[O:32])[OH:33])[C@H:15]1[CH2:11][C:20](=[O:31])[C@@:27]2([CH3:6])[C:23]3=[C:22]([C:17](=[O:29])[CH2:13][C@:26]12[CH3:5])[C@@:25]1([CH3:4])[CH2:10][CH2:9][C@H:19]([OH:30])[C:24]([CH3:2])([CH3:3])[C@@H:18]1[CH2:12][C@@H:16]3[OH:28]
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:66595
chebi:66595
YBGBNHHXOJXFNM-UQCMLMITSA-N 		lucidenic acid N
(3beta,5alpha,7beta)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oic acid
3,7-Dihydroxy-25,26,27-trinor-11,15-dioxolanost-8-en-24-oic acid
hmdb:HMDB0038352
YBGBNHHXOJXFNM-UHFFFAOYSA-N 		Lucidenic acid N
2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one
3',4',5-Trihydroxy-6,7,8-trimethoxyflavone
3,7-Dihydroxy-25,26,27-trinor-11,15-dioxolanost-8-en-24-Oic acid
3,7-Dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-Oic acid
3beta,7beta-Dihydroxy-4,4,14alpha-trimethyl-11,15-dioxo-5alphachol-8-en-24-Oic acid
4-{5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}pentanoate
4-{5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}pentanoic acid
5,3',4'-Trihydroxy-6,7,8-trimethoxyflavone
Lucidenate N
Lucidenic acid LM(1)
Lucidenic acid LM1
Lucidenic acid SP1
Sideritoflavone

hmdb:HMDB38352 		secondary/obsolete/fantasy identifier