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taxusin

PropertiesImage
MNX_IDMNXM5939 Image of MNXM5939
referencechebi:63664
formulaC28H40O8
global charge0
mol weight504.62
InChIKeySKJSIVQEPKBFTJ-HUWILPJBSA-N
InChIInChI=1S/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1
SMILESC=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C
MNX internals
InChI (mnx)InChI=1/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1 Image of MNXM5939
SMILES (mnx)[CH2:1]=[C:14]1[C@H:21]2[CH2:12][C@@H:20]3[CH2:13][C@H:23]([O:34][C:17]([CH3:4])=[O:30])[C:15]([CH3:2])=[C:24]([C@@H:25]([O:35][C:18]([CH3:5])=[O:31])[C@H:26]([O:36][C:19]([CH3:6])=[O:32])[C@:28]2([CH3:9])[CH2:11][CH2:10][C@@H:22]1[O:33][C:16]([CH3:3])=[O:29])[C:27]3([CH3:7])[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63664
chebi:63664
SKJSIVQEPKBFTJ-HUWILPJBSA-N 		taxusin
(+)-taxusin
(5alpha,9alpha,10beta,13alpha)-taxa-4(20),11-diene-5,9,10,13-tetrayl tetraacetate
taxa-4(20),11-diene-5alpha,9alpha,10beta,13alpha-tetrayl tetraacetate

kegg.compound:C20152
keggC:C20152
SKJSIVQEPKBFTJ-HUWILPJBSA-N 		Taxusin
Taxa-4(20),11-diene-5alpha,9alpha,10beta,13alpha-tetrayl tetraacetate

seed.compound:cpd21385
seedM:cpd21385
SKJSIVQEPKBFTJ-HUWILPJBSA-N 		Taxusin
Taxa-4(20),11-diene-5alpha,9alpha,10beta,13alpha-tetrayl tetraacetate
taxa-4(20),11-diene-5alpha,9alpha,10beta,13alpha-tetrayl tetraacetate
taxusin

metacyc.compound:CPD-13925
metacycM:CPD-13925
SKJSIVQEPKBFTJ-HUWILPJBSA-N 		taxusin
taxa-4(20),11-diene-5alpha,9alpha,10beta,13alpha-tetrayl tetraacetate

keggC:M_C20152
seedM:M_cpd21385 		secondary/obsolete/fantasy identifier