Search MNXref
 Feedback

beta1-Chaconine

MNXM13288 is deprecated and here replaced by MNXM728084
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728084 Image of MNXM728084
referencechebi:172316
formulaC39H63NO10
global charge0
mol weight705.93
InChIKeyZLSYCIYRYZUJCZ-UHFFFAOYSA-N
InChIInChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3
SMILESCC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC43C)N2C1
MNX internals
InChI (mnx)InChI=1/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39? Image of MNXM728084
SMILES (mnx)[CH3:1][CH:18]1[CH2:6][CH2:9][CH:26]2[CH:19]([CH3:2])[CH:29]3[CH:27]([CH2:15][CH:25]4[CH:23]5[CH2:8][CH:7]=[C:21]6[CH2:14][CH:22]([O:48][CH:37]7[CH:35]([O:50][CH:36]8[CH:34]([OH:46])[CH:32]([OH:44])[CH:30]([OH:42])[CH:20]([CH3:3])[O:47]8)[CH:33]([OH:45])[CH:31]([OH:43])[CH:28]([CH2:17][OH:41])[O:49]7)[CH2:10][CH2:12][C:38]6([CH3:4])[CH:24]5[CH2:11][CH2:13][C:39]43[CH3:5])[N:40]2[CH2:16]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:172316
chebi:172316
ZLSYCIYRYZUJCZ-UHFFFAOYSA-N 		beta1-Chaconine
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
hmdb:HMDB0030321
ZLSYCIYRYZUJCZ-UHFFFAOYSA-N 		beta1-Chaconine
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
b1-Chaconine
beta(1)-Chaconine
beta-Chaconine
beta1-chaconine

envipath:...bc93b8d46809
envipathM:...bc93b8d46809
ZLSYCIYRYZUJCZ-LXCDPPTBSA-N 		compound 0287108

hmdb:HMDB30321 		secondary/obsolete/fantasy identifier