Search MNXref
 Feedback

cyathin A3

PropertiesImage
MNX_IDMNXM47986 Image of MNXM47986
referencechebi:3985
formulaC20H30O3
global charge0
mol weight318.457
InChIKeyRGROGZCBGZBCAG-XNFNUYLZSA-N
InChIInChI=1S/C20H30O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,12,15-16,21-22H,5-8,10-11H2,1-4H3/t15-,16-,19-,20-/m1/s1
SMILESCC(C)C1=C2[C@H]3C[C@@H](O)C(CO)=CC(=O)[C@]3(C)CC[C@@]2(C)CC1
MNX internals
InChI (mnx)InChI=1/C20H30O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,12,15-16,21-22H,5-8,10-11H2,1-4H3/t15-,16-,19-,20-/m1/s1 Image of MNXM47986
SMILES (mnx)[CH3:1][CH:12]([CH3:2])[C:14]1=[C:18]2[C@H:15]3[CH2:10][C@@H:16]([OH:22])[C:13]([CH2:11][OH:21])=[CH:9][C:17](=[O:23])[C@:20]3([CH3:4])[CH2:8][CH2:7][C@@:19]2([CH3:3])[CH2:6][CH2:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-26040
metacycM:CPD-26040
CHEBI:3985
chebi:3985
RGROGZCBGZBCAG-XNFNUYLZSA-N 		cyathin A3

seed.compound:cpd05975
seedM:cpd05975
kegg.compound:C09079
keggC:C09079
RGROGZCBGZBCAG-XNFNUYLZSA-N 		Cyathin A3

keggC:M_C09079
seedM:M_cpd05975 		secondary/obsolete/fantasy identifier