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bipinnatone A

PropertiesImage
MNX_IDMNXM103216 Image of MNXM103216
referencechebi:65498
formulaC30H38O5
global charge0
mol weight478.629
InChIKeySJBBGMVJNAOUOI-VLURGLOZSA-N
InChIInChI=1S/C30H38O5/c1-20(2)7-5-8-21(3)9-6-10-22(4)11-14-24-17-23(12-15-26(24)32)13-16-27(33)30-28(34)18-25(31)19-29(30)35/h7,9,11-12,15,17-19,31-32,34-35H,5-6,8,10,13-14,16H2,1-4H3/b21-9+,22-11+
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(O)C=CC(CCC(=O)C2=C(O)C=C(O)C=C2O)=C1
MNX internals
InChI (mnx)InChI=1/C30H38O5/c1-20(2)7-5-8-21(3)9-6-10-22(4)11-14-24-17-23(12-15-26(24)32)13-16-27(33)30-28(34)18-25(31)19-29(30)35/h7,9,11-12,15,17-19,31-32,34-35H,5-6,8,10,13-14,16H2,1-4H3/b21-9+,22-11+ Image of MNXM103216
SMILES (mnx)[CH3:1][C:20]([CH3:2])=[CH:7][CH2:5][CH2:8]/[C:21]([CH3:3])=[CH:9]/[CH2:6][CH2:10]/[C:22]([CH3:4])=[CH:11]/[CH2:14][C:24]1=[C:26]([OH:32])[CH:15]=[CH:12][C:23]([CH2:13][CH2:16][C:27]([C:30]2=[C:28]([OH:34])[CH:18]=[C:25]([OH:31])[CH:19]=[C:29]2[OH:35])=[O:33])=[CH:17]1
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:65498
chebi:65498
SJBBGMVJNAOUOI-VLURGLOZSA-N
bipinnatone A
3-{4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phenyl}-1-(2,4,6-trihydroxyphenyl)propan-1-one