CHEBI:139420 - 4-{(1S,3aR,4S,6aR)-4-[4-(hexopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl hexopyranoside

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ChEBI Name 4-{(1S,3aR,4S,6aR)-4-[4-(hexopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl hexopyranoside
ChEBI ID CHEBI:139420
ChEBI ASCII Name 4-{(1S,3aR,4S,6aR)-4-[4-(hexopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl hexopyranoside
Stars This entity has been manually annotated by a third party.
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Formula C32H42O16
Net Charge 0
Average Mass 682.668
Monoisotopic Mass 682.24729
InChI InChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21?,22?,23?,24?,25?,26?,27?,28?,29+,30+,31?,32?/m0/s1
InChIKey ZJSJQWDXAYNLNS-XJUVHSKASA-N
SMILES [C@@H]1(OC[C@]2([C@]1([H])CO[C@@H]2C3=CC(=C(OC4C(C(C(C(O4)CO)O)O)O)C=C3)OC)[H])C5=CC=C(OC6OC(C(C(C6O)O)O)CO)C(OC)=C5
ChEBI Ontology
Outgoing 4-{(1S,3aR,4S,6aR)-4-[4-(hexopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl hexopyranoside (CHEBI:139420) is a glycoside (CHEBI:24400)
4-{(1S,3aR,4S,6aR)-4-[4-(hexopyranosyloxy)-3-methoxyphenyl]tetrahydro-1H,3H-furo[3,4-c]furan-1-yl}-2-methoxyphenyl hexopyranoside (CHEBI:139420) is a lignan (CHEBI:25036)
Manual Xref Database
22913060 ChemSpider
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Last Modified
15 января 2018