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

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Nevskin

	Properties	Image
MNX_ID	MNXM128670
reference	chebi:175980
formula	C₂₄H₃₂O₅
global charge	0
mol weight	400.515
InChIKey	WNANPKYNOALKIV-UHFFFAOYSA-N
InChI	InChI=1S/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3
SMILES	CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COC1=CC=C2C=CC(=O)OC2=C1

MNX internals

InChI (mnx)	InChI=1/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3/t18?,19?,20?,23?,24?
SMILES (mnx)	[CH3:1][C:22]1([CH3:2])[CH:18]2[CH2:9][CH2:12][C:24]([CH3:4])([OH:27])[CH:19]([CH2:14][O:28][C:16]3=[CH:13][C:17]4=[C:15]([CH:5]=[CH:7]3)[CH:6]=[CH:8][C:21](=[O:26])[O:29]4)[C:23]2([CH3:3])[CH2:11][CH2:10][CH:20]1[OH:25]

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:175980 chebi:175980 WNANPKYNOALKIV-UHFFFAOYSA-N	Nevskin 7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
hmdb:HMDB0030162 WNANPKYNOALKIV-UHFFFAOYSA-N	Nevskin 7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one 7-[(2,6-dihydroxy-2,5,5,8a-tetramethyl-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one Episamarcandin Samarcandin
hmdb:HMDB30162	secondary/obsolete/fantasy identifier