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Lolitriol

MNXM147136 is deprecated and here replaced by MNXM1100329
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1100329Image of MNXM1100329
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
formulaC37H49NO7
charge0
mass619.3509
referencekeggC:C20548
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@@]4(C)c5[nH]c6ccc7c(c6c5C[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@@H]1O)C[C@@H]1[C@@H](C7=O)C(C)(C)OC1(C)C
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd31182
seedM:cpd31182
kegg.compound:C20548
keggC:C20548 		Lolitriol
metacyc.compound:CPD-17204
metacycM:CPD-17204
seed.compound:cpd35888
seedM:cpd35888 		lolitriol
keggC:M_C20548
seedM:M_cpd31182
seedM:M_cpd35888 		secondary/obsolete/fantasy identifier