MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Mucoxin

	Properties	Image
MNX_ID	MNXM128197
reference	hmdb:HMDB0031171
formula	C₃₇H₆₆O₇
global charge	0
mol weight	622.928
InChIKey	DVOUJRUFCBNRQW-UHFFFAOYSA-N
InChI	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31(39)35-27-32(40)36(44-35)34-25-24-33(43-34)30(38)22-20-17-18-21-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
SMILES	CCCCCCCCCCCCCCCCCC(O)C1CC(O)C(C2CCC(C(O)CCCCCC3=CC(C)OC3=O)O2)O1

MNX internals

InChI (mnx)	InChI=1/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31(39)35-27-32(40)36(44-35)34-25-24-33(43-34)30(38)22-20-17-18-21-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28?,30?,31?,32?,33?,34?,35?,36?
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:23][CH:31]([CH:35]1[CH2:27][CH:32]([OH:40])[CH:36]([CH:34]2[CH2:25][CH2:24][CH:33]([CH:30]([CH2:22][CH2:20][CH2:17][CH2:18][CH2:21][C:29]3=[CH:26][CH:28]([CH3:2])[O:42][C:37]3=[O:41])[OH:38])[O:43]2)[O:44]1)[OH:39]

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
Identifier	Description
hmdb:HMDB0031171 DVOUJRUFCBNRQW-UHFFFAOYSA-N	Mucoxin 3-(6-hydroxy-6-{5-[3-hydroxy-5-(1-hydroxyoctadecyl)oxolan-2-yl]oxolan-2-yl}hexyl)-5-methyl-2,5-dihydrofuran-2-one 3-(6-hydroxy-6-{5-[3-hydroxy-5-(1-hydroxyoctadecyl)oxolan-2-yl]oxolan-2-yl}hexyl)-5-methyl-5H-furan-2-one Betalgil Emoren Mucaine Muthesa Oxaethacainum Oxaine Oxetacain Oxetacaina Oxetacaine Oxetacainum Oxethacaina Oxethacaine Oxethazaine Oxethazaine (JP15/usan) Oxethazine Robercain R Stomacain Strocain Tepilta Therap cat: local anesthetic Topicain
hmdb:HMDB31171	secondary/obsolete/fantasy identifier