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Macrophorin A

PropertiesImage
MNX_IDMNXM127602 Image of MNXM127602
referencechebi:175637
formulaC22H32O4
global charge0
mol weight360.494
InChIKeyOOIYDCZXWGFDDL-VKUFQHAMSA-N
InChIInChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3/t15-,16-,18+,19+,21+,22-/m0/s1
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@H](O)C(CO)=CC2=O
MNX internals
InChI (mnx)InChI=1/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3/t15-,16-,18+,19+,21+,22-/m0/s1 Image of MNXM127602
SMILES (mnx)[CH2:1]=[C:13]1[CH2:6][CH2:7][C@H:16]2[C:20]([CH3:2])([CH3:3])[CH2:8][CH2:5][CH2:9][C@:21]2([CH3:4])[C@H:15]1[CH2:11][C@:22]12[C:17](=[O:24])[CH:10]=[C:14]([CH2:12][OH:23])[C@@H:18]([OH:25])[C@H:19]1[O:26]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:175637
chebi:175637
OOIYDCZXWGFDDL-VKUFQHAMSA-N 		Macrophorin A
(1R,5R,6R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
hmdb:HMDB0030454
OOIYDCZXWGFDDL-UHFFFAOYSA-N 		Macrophorin A
1-[(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
1-[(5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
2-Deoxy-2-fluoroglucopyranosyl fluoride

hmdb:HMDB30454 		secondary/obsolete/fantasy identifier