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Botryaloic acid

PropertiesImage
MNX_IDMNXM1386096 Image of MNXM1386096
referencechebi:204035
formulaC15H24O5
global charge0
mol weight284.352
InChIKeyVBXAFEYVTZXMPM-RCJNEMEQSA-N
InChIInChI=1S/C15H24O5/c1-8-5-10(17)11-13(2,3)7-14(4,12(18)19)15(11,20)9(8)6-16/h6,8-11,17,20H,5,7H2,1-4H3,(H,18,19)/t8-,9+,10+,11+,14-,15-/m1/s1
SMILESC[C@@H]1C[C@H](O)[C@H]2C(C)(C)C[C@](C)(C(=O)O)[C@@]2(O)[C@H]1C=O
MNX internals
InChI (mnx)InChI=1/C15H24O5/c1-8-5-10(17)11-13(2,3)7-14(4,12(18)19)15(11,20)9(8)6-16/h6,8-11,17,20H,5,7H2,1-4H3,(H,18,19)/t8-,9+,10+,11+,14-,15-/m1/s1 Image of MNXM1386096
SMILES (mnx)[CH3:1][C@@H:8]1[CH2:5][C@H:10]([OH:17])[C@H:11]2[C:13]([CH3:2])([CH3:3])[CH2:7][C@:14]([CH3:4])([C:12](=[O:18])[OH:19])[C@@:15]2([OH:20])[C@H:9]1[CH:6]=[O:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:204035
chebi:204035
VBXAFEYVTZXMPM-RCJNEMEQSA-N
Botryaloic acid
(1S,3aR,4S,6R,7S,7aS)-7-ormyl-4,7a-dihydroxy-1,3,3,6-tetramethyl-2,3a,4,5,6,7-hexahydroindene-1-carboxylic acid