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lolitriol

MNXM147136 is deprecated and here replaced by MNXM1100329
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100329 Image of MNXM1100329
referencechebi:182758
formulaC37H49NO7
global charge0
mol weight619.799
InChIKeyGIHSQRKLXKCZNX-FHDNRYQMSA-N
InChIInChI=1S/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21+,23-,25-,27+,29-,30+,34+,35+,36-,37-/m0/s1
SMILESCC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4CC5=C(NC6=C5C5=C(C=C6)C(=O)[C@@H]6[C@@H](C5)C(C)(C)OC6(C)C)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21+,23-,25-,27+,29-,30+,34+,35+,36-,37-/m0/s1 Image of MNXM1100329
SMILES (mnx)[CH3:1][C:31]([CH3:2])([C@@H:29]1[C@@H:27]([OH:40])[C@@H:30]2[C@:37]3([C@H:23]([CH2:12][CH2:13][C@:34]4([CH3:7])[C@:35]5([CH3:8])[C@@H:17]([CH2:11][CH2:14][C@:36]43[OH:42])[CH2:15][C:20]3=[C:28]5[NH:38][C:22]4=[C:24]3[C:19]3=[C:18]([CH:9]=[CH:10]4)[C:26](=[O:39])[C@@H:25]4[C@@H:21]([CH2:16]3)[C:32]([CH3:3])([CH3:4])[O:45][C:33]4([CH3:5])[CH3:6])[O:43]1)[O:44]2)[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:182758
chebi:182758
GIHSQRKLXKCZNX-FHDNRYQMSA-N 		lolitriol
(2S,3R,6S,8S,9R,10R,12S,13S,16S,22R,26R)-9,13-Dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one
(2S,3R,6S,8S,9R,10R,12S,13S,16S,22R,26R)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one
(2S,3R,6S,8S,9R,12S,13S,16S,22R,26R)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one

seed.compound:cpd31182
seedM:cpd31182
kegg.compound:C20548
keggC:C20548
GIHSQRKLXKCZNX-FHDNRYQMSA-N 		Lolitriol

metacyc.compound:CPD-17204
metacycM:CPD-17204
seed.compound:cpd35888
seedM:cpd35888
GIHSQRKLXKCZNX-KDOSGZHQSA-N 		lolitriol

keggC:M_C20548
seedM:M_cpd31182
seedM:M_cpd35888 		secondary/obsolete/fantasy identifier