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Tussilagone

PropertiesImage
MNX_IDMNXM145151 Image of MNXM145151
referencehmdb:HMDB0040953
formulaC23H34O5
global charge0
mol weight390.52
InChIKeyCFUPNMDNSQIWBB-UKTHLTGXSA-N
InChIInChI=1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+
SMILESC=C1C(OC(=O)/C=C(\C)CC)CC(C(C)C)C2C1CC(=O)C2C(C)OC(C)=O
MNX internals
InChI (mnx)InChI=1/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+/t15?,17?,18?,20?,22?,23? Image of MNXM145151
SMILES (mnx)[CH3:1][CH2:8]/[C:13]([CH3:4])=[CH:9]/[C:21](=[O:26])[O:28][CH:20]1[CH2:11][CH:17]([CH:12]([CH3:2])[CH3:3])[CH:23]2[CH:18]([CH2:10][C:19](=[O:25])[CH:22]2[CH:15]([CH3:6])[O:27][C:16]([CH3:7])=[O:24])[C:14]1=[CH2:5]
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
hmdb:HMDB0040953
CFUPNMDNSQIWBB-UKTHLTGXSA-N 		Tussilagone
(7R,14R)-14-Acetoxy-7-((2'e)-3'-methylpent-2'-enoyloxy)-oplopanone
1-[1-(Acetyloxy)ethyl]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoic acid
1-[1-(acetyloxy)ethyl]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoate
1-[1-(acetyloxy)ethyl]-7-isopropyl-4-methylidene-2-oxo-hexahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoate
14-Acetoxy-7-(3'-ethylcrotonoyloxy)-notonipetranone
14-Acetoxy-7b-(3'-ethylcrotonoyloxy)-notonipetranone
9a-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
9a-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetic acid
9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetic acid
9alpha-(3-methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
9alpha-(3-methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetic acid
Farfaratin

hmdb:HMDB40953 		secondary/obsolete/fantasy identifier