(-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67643)

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CHEBI:67643 - (-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol

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ChEBI ID	CHEBI:67643
ChEBI Name	(-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol
Stars
ASCII Name	(-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol
Definition	A flavonolignan isolated from the stems of Sinocalamus affinis.
Last Modified	19 April 2016
Downloads	Molfile

Formula	C27H26O11
Net Charge	0
Average Mass	526.494
Monoisotopic Mass	526.14751
SMILES	COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O
InChI	InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1
InChIKey	WXNJNHFYIWEHIL-AHWVRZQESA-N

Species of Metabolite	Component	Source	Comments
Sinocalamus affinis (IPNI:421970-1)	stem (BTO:0001300)	PubMed (21469695)	95% Ethanolic extract of skin-removed, air-dried, powdered stems.

Roles Classification

Biological Role:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	(-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67643) has role plant metabolite (CHEBI:76924)
	(-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67643) is a dimethoxybenzene (CHEBI:51681)
	(-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67643) is a flavonolignan (CHEBI:72709)
	(-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67643) is a polyphenol (CHEBI:26195)
	(-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67643) is a primary alcohol (CHEBI:15734)
	(-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67643) is a secondary alcohol (CHEBI:35681)

IUPAC Name
2-(4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

Synonym	Source
tricin 4'-O-(threo-β-guaiacylglyceryl) ether	ChEBI

Registry Numbers	Sources
Reaxys:21559783	Reaxys

Citations