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(+)-diversonol

PropertiesImage
MNX_IDMNXM104650 Image of MNXM104650
referencechebi:68282
formulaC15H18O6
global charge0
mol weight294.303
InChIKeyGBAMGKOMMOEKIB-GVARAGBVSA-N
InChIInChI=1S/C15H18O6/c1-7-5-8(16)12-9(6-7)21-14(2)10(17)3-4-11(18)15(14,20)13(12)19/h5-6,10-11,16-18,20H,3-4H2,1-2H3/t10-,11-,14-,15-/m0/s1
SMILESCC1=CC(O)=C2C(=O)[C@@]3(O)[C@@H](O)CC[C@H](O)[C@]3(C)OC2=C1
MNX internals
InChI (mnx)InChI=1/C15H18O6/c1-7-5-8(16)12-9(6-7)21-14(2)10(17)3-4-11(18)15(14,20)13(12)19/h5-6,10-11,16-18,20H,3-4H2,1-2H3/t10-,11-,14-,15-/m0/s1 Image of MNXM104650
SMILES (mnx)[CH3:1][C:7]1=[CH:5][C:8]([OH:16])=[C:12]2[C:9](=[CH:6]1)[O:21][C@@:14]1([CH3:2])[C@@H:10]([OH:17])[CH2:3][CH2:4][C@H:11]([OH:18])[C@:15]1([OH:20])[C:13]2=[O:19]
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:68282
chebi:68282
GBAMGKOMMOEKIB-GVARAGBVSA-N
(+)-diversonol
(1S,4S,4aS,9aR)-1,4,8,9a-tetrahydroxy-4a,6-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one