CHEBI:136611 - Theasinensin C

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ChEBI Name Theasinensin C
ChEBI ID CHEBI:136611
Stars This entity has been manually annotated by a third party.
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Formula C30H26O14
Net Charge 0
Average Mass 610.520
Monoisotopic Mass 610.13226
InChI InChI=1S/C30H26O14/c31-9-1-15(33)11-5-19(37)29(43-21(11)3-9)13-7-17(35)25(39)27(41)23(13)24-14(8-18(36)26(40)28(24)42)30-20(38)6-12-16(34)2-10(32)4-22(12)44-30/h1-4,7-8,19-20,29-42H,5-6H2/t19-,20-,29-,30-/m1/s1
InChIKey JPBGHWKYWUEIOT-XYTTVBAYSA-N
SMILES O1[C@@]([C@H](O)CC=2C1=CC(O)=CC2O)(C=3C(C=4C([C@]5(OC=6C(C[C@H]5O)=C(O)C=C(O)C6)[H])=CC(O)=C(O)C4O)=C(O)C(O)=C(O)C3)[H]
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing Theasinensin C (CHEBI:136611) is a tannin (CHEBI:26848)
IUPAC Name
6,6'-Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2',3,3',4,4'-biphenylhexol
Manual Xrefs Databases
410678 ChemSpider
HMDB0038829 HMDB
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Last Modified
22 March 2017