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(20S)-protopanaxadiol

MNXM119779 is deprecated and here replaced by MNXM727267
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM727267

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	0

formula

C₃₀H₅₂O₃

charge

mass

460.39165

reference

chebi:75950

InChIKey

PYXFVCFISTUSOO-HKUCOEKDSA-N

InChI

InChI=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

SMILES

CC(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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75950 chebi:75950	(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	(20S)-protopanaxadiol (20S)-protopanaxadiol-type ginsenoside aglycone (3beta,12beta)-dammar-24-ene-3,12,20-triol
seed.compound:cpd31294 seedM:cpd31294	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	Protopanaxadiol (20S)-Protopanaxadiol Dammar-24-ene-3beta,12beta,20-triol
keggC:M_C20715 seedM:M_cpd31294	secondary/obsolete/fantasy identifier