3-(4-hydroxy-3-methoxyphenyl)-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1?,?.1??,??.0??,??.0?,??.0??,??]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol (CHEBI:169614)

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CHEBI:169614 - 3-(4-hydroxy-3-methoxyphenyl)-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1?,?.1??,??.0??,??.0?,??.0??,??]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

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ChEBI ID	CHEBI:169614
ChEBI Name	3-(4-hydroxy-3-methoxyphenyl)-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1?,?.1??,??.0??,??.0?,??.0??,??]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C43H32O10
Net Charge	0
Average Mass	708.719
Monoisotopic Mass	708.19955
SMILES	COc1cc(C2Oc3cc(O)cc4c3C2c2cc(O)cc3c2C(c2cc(O)cc5c2C4C(c2ccc(O)cc2)O5)C(c2ccc(O)cc2)O3)ccc1O
InChI	InChI=1S/C43H32O10/c1-50-31-12-21(6-11-30(31)49)43-40-29-15-26(48)17-33-36(29)38(41(52-33)19-2-7-22(44)8-3-19)27-13-24(46)16-32-35(27)39(28-14-25(47)18-34(53-43)37(28)40)42(51-32)20-4-9-23(45)10-5-20/h2-18,38-49H,1H3
InChIKey	QVLYLRARSNAVFF-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	3-(4-hydroxy-3-methoxyphenyl)-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1?,?.1??,??.0??,??.0?,??.0??,??]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol (CHEBI:169614) is a benzofurans (CHEBI:35259)

IUPAC Name
3-(4-hydroxy-3-methoxyphenyl)-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

Manual Xrefs	Databases
HMDB0129147	HMDB