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

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feselol

	Properties	Image
MNX_ID	MNXM105129
reference	chebi:70609
formula	C₂₄H₃₀O₄
global charge	0
mol weight	382.5
InChIKey	MCTDXPDDZLFJHR-XLRKYUMYSA-N
InChI	InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3/t18-,20-,21-,24+/m1/s1
SMILES	CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COC1=CC=C2C=CC(=O)OC2=C1

MNX internals

InChI (mnx)	InChI=1/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3/t18-,20-,21-,24+/m1/s1
SMILES (mnx)	[CH3:1][C:15]1=[CH:5][CH2:9][C@@H:20]2[C:23]([CH3:2])([CH3:3])[C@H:21]([OH:25])[CH2:11][CH2:12][C@@:24]2([CH3:4])[C@@H:18]1[CH2:14][O:27][C:17]1=[CH:13][C:19]2=[C:16]([CH:6]=[CH:8]1)[CH:7]=[CH:10][C:22](=[O:26])[O:28]2

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
CHEBI:70609 chebi:70609 MCTDXPDDZLFJHR-XLRKYUMYSA-N	feselol 7-[[(1R,4aS,6R,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]chromen-2-one Moschatol
hmdb:HMDB0039065 MCTDXPDDZLFJHR-UHFFFAOYSA-N	(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone (3'a,5'a,9'XI,10'b)-O-(3-hydroxy-7-drimen-11-yl)umbelliferone (3'alpha,5'alpha,9'xi,10'beta)-O-(3-hydroxy-7-drimen-11-yl)umbelliferone 7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one 7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one Mogoltacin
hmdb:HMDB39065	secondary/obsolete/fantasy identifier