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(20S)-protopanaxadiol

MNXM119779 is deprecated and here replaced by MNXM727267
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727267 Image of MNXM727267
referencechebi:75950
formulaC30H52O3
global charge0
mol weight460.743
InChIKeyPYXFVCFISTUSOO-HKUCOEKDSA-N
InChIInChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1
SMILESCC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1 Image of MNXM727267
SMILES (mnx)[CH3:1][C:19]([CH3:2])=[CH:10][CH2:9][CH2:14][C@@:30]([CH3:8])([C@H:20]1[CH2:11][CH2:16][C@:29]2([CH3:7])[C@@H:25]1[C@H:21]([OH:31])[CH2:18][C@@H:23]1[C@@:27]3([CH3:5])[CH2:15][CH2:13][C@H:24]([OH:32])[C:26]([CH3:3])([CH3:4])[C@@H:22]3[CH2:12][CH2:17][C@:28]12[CH3:6])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75950
chebi:75950
PYXFVCFISTUSOO-HKUCOEKDSA-N 		(20S)-protopanaxadiol
(3beta,12beta)-dammar-24-ene-3,12,20-triol
20(S)-APPD
20-Epiprotopanaxadiol
24-dammarene-3beta,12beta,20S-triol
dammar-24-ene-3beta,12beta,20-triol
dammar-24-ene-3beta,12beta,20S-triol

metacyc.compound:CPD-15449
metacycM:CPD-15449
PYXFVCFISTUSOO-HKUCOEKDSA-N 		(20S)-protopanaxadiol
(20S)-protopanaxadiol-type ginsenoside aglycone
(3beta,12beta)-dammar-24-ene-3,12,20-triol

seed.compound:cpd31294
seedM:cpd31294
PYXFVCFISTUSOO-HKUCOEKDSA-N 		Protopanaxadiol
(20S)-Protopanaxadiol
(20S)-protopanaxadiol
(20S)-protopanaxadiol-type ginsenoside aglycone
(3beta,12beta)-dammar-24-ene-3,12,20-triol
Dammar-24-ene-3beta,12beta,20-triol

kegg.compound:C20715
keggC:C20715
PYXFVCFISTUSOO-HKUCOEKDSA-N 		Protopanaxadiol
(20S)-Protopanaxadiol
Dammar-24-ene-3beta,12beta,20-triol

keggC:M_C20715
seedM:M_cpd31294 		secondary/obsolete/fantasy identifier