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ferilin

PropertiesImage
MNX_IDMNXM105110 Image of MNXM105110
referencechebi:70611
formulaC24H30O4
global charge0
mol weight382.5
InChIKeyFCWYNTDTQPCVPG-IKQBDLNTSA-N
InChIInChI=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/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20-,21+,24+/m0/s1
SMILESC=C1CC[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/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20-,21+,24+/m0/s1 Image of MNXM105110
SMILES (mnx)[CH2:1]=[C:15]1[CH2:5][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
IdentifierDescription

CHEBI:70611
chebi:70611
FCWYNTDTQPCVPG-IKQBDLNTSA-N 		ferilin
7-[[(1S,4aR,6R,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one