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Cinncassiol B

MNXM46846 is deprecated and here replaced by MNXM1369642
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369642 Image of MNXM1369642
referencechebi:138847
formulaC20H32O8
global charge0
mol weight400.468
InChIKeyLIGPZBKBGCJTGC-YIDRGKKYSA-N
InChIInChI=1S/C20H32O8/c1-10-5-6-16(24)13(3)8-18(26)14(4)15(23,11(2)7-21)9-17(13,25)20(14,27)19(16,28-18)12(10)22/h10-12,21-27H,5-9H2,1-4H3/t10-,11?,12+,13-,14?,15-,16-,17+,18-,19+,20+/m0/s1
SMILESCC(CO)[C@@]1(O)C[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]41C
MNX internals
InChI (mnx)InChI=1/C20H32O8/c1-10-5-6-16(24)13(3)8-18(26)14(4)15(23,11(2)7-21)9-17(13,25)20(14,27)19(16,28-18)12(10)22/h10-12,21-27H,5-9H2,1-4H3/t10-,11?,12+,13-,14?,15-,16-,17+,18-,19+,20+/m0/s1 Image of MNXM1369642
SMILES (mnx)[CH3:1][C@H:10]1[CH2:5][CH2:6][C@:16]2([OH:24])[C@:13]3([CH3:3])[CH2:8][C@@:18]4([OH:26])[C:14]5([CH3:4])[C@:15]([CH:11]([CH3:2])[CH2:7][OH:21])([OH:23])[CH2:9][C@:17]3([OH:25])[C@@:20]5([OH:27])[C@:19]2([C@@H:12]1[OH:22])[O:28]4
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:138847
chebi:138847
kegg.compound:C17648
keggC:C17648
LIGPZBKBGCJTGC-YIDRGKKYSA-N 		Cinncassiol B

keggC:M_C17648 		secondary/obsolete/fantasy identifier