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glycyrrhetaldehyde

MNXM97147 is deprecated and here replaced by MNXM741708
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741708 Image of MNXM741708
referencechebi:71577
formulaC30H46O3
global charge0
mol weight454.695
InChIKeyOTKNPGBTQXVJNH-DQOTWGJISA-N
InChIInChI=1S/C30H46O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,18,20,22-24,33H,8-15,17H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1
SMILESCC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C=O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C30H46O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,18,20,22-24,33H,8-15,17H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1 Image of MNXM741708
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[C@@H:22]2[CH2:8][CH2:11][C@:30]3([CH3:7])[C@H:24]([C:21](=[O:32])[CH:16]=[C:19]4[C@@H:20]5[CH2:17][C@@:26]([CH3:3])([CH:18]=[O:31])[CH2:12][CH2:13][C@:27]5([CH3:4])[CH2:14][CH2:15][C@:29]43[CH3:6])[C@@:28]2([CH3:5])[CH2:10][CH2:9][C@@H:23]1[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71577
chebi:71577
OTKNPGBTQXVJNH-DQOTWGJISA-N 		glycyrrhetaldehyde
(3beta)-3-hydroxy-11-oxoolean-12-en-30-al
11,30-dioxo-beta-amyrin
3beta-hydroxy-11-oxoolean-12-en-30-al

seed.compound:cpd31154
seedM:cpd31154
kegg.compound:C20511
keggC:C20511
OTKNPGBTQXVJNH-DQOTWGJISA-N 		Glycyrrhetaldehyde

keggC:M_C20511
seedM:M_cpd31154 		secondary/obsolete/fantasy identifier