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Withaperuvin F

PropertiesImage
MNX_IDMNXM145366 Image of MNXM145366
referencechebi:176194
formulaC28H38O8
global charge0
mol weight502.604
InChIKeyYZKXYOSYQKJNOD-UHFFFAOYSA-N
InChIInChI=1S/C28H38O8/c1-13-10-20(36-23(31)14(13)2)26(5,32)27(33)9-7-16-15-11-21-28(34)22(30)18(35-21)12-19(29)25(28,4)17(15)6-8-24(16,27)3/h7,15,17-18,20-22,30,32-34H,6,8-12H2,1-5H3
SMILESCC1=C(C)C(=O)OC(C(C)(O)C2(O)CC=C3C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O)C1
MNX internals
InChI (mnx)InChI=1/C28H38O8/c1-13-10-20(36-23(31)14(13)2)26(5,32)27(33)9-7-16-15-11-21-28(34)22(30)18(35-21)12-19(29)25(28,4)17(15)6-8-24(16,27)3/h7,15,17-18,20-22,30,32-34H,6,8-12H2,1-5H3/t15?,17?,18?,20?,21?,22?,24?,25?,26?,27?,28? Image of MNXM145366
SMILES (mnx)[CH3:1][C:13]1=[C:14]([CH3:2])[C:23](=[O:31])[O:36][CH:20]([C:26]([CH3:5])([C:27]2([OH:33])[CH2:9][CH:7]=[C:16]3[CH:15]4[CH2:11][CH:21]5[C:28]6([OH:34])[CH:22]([OH:30])[CH:18]([CH2:12][C:19](=[O:29])[C:25]6([CH3:4])[CH:17]4[CH2:6][CH2:8][C:24]32[CH3:3])[O:35]5)[OH:32])[CH2:10]1
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:176194
chebi:176194
YZKXYOSYQKJNOD-UHFFFAOYSA-N 		Withaperuvin F
7-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-7,16,17-trihydroxy-8,12-dimethyl-18-oxapentacyclo[13.2.1.03,11.04,8.012,17]octadec-4-en-13-one
hmdb:HMDB0034400
YZKXYOSYQKJNOD-UHFFFAOYSA-N 		Withaperuvin F
3a,6a-Epoxy-4b,5,17b,20R-tetrahydroxy-1-oxo-5b,22R-witha-14,24-dienolide
7-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-7,16,17-trihydroxy-8,12-dimethyl-18-oxapentacyclo[13.2.1.0³,¹¹.0⁴,⁸.0¹²,¹⁷]octadec-4-en-13-one
7-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-7,16,17-trihydroxy-8,12-dimethyl-18-oxapentacyclo[13.2.1.0³,¹¹.0⁴,⁸.0¹²,¹⁷]octadec-4-en-13-one
Kryptogenin

hmdb:HMDB34400 		secondary/obsolete/fantasy identifier