CHEBI:228322 - Tenuifoliose A

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ChEBI Name Tenuifoliose A
ChEBI ID CHEBI:228322
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C62H76O35
Net Charge 0
Average Mass 1381.255
Monoisotopic Mass 1380.41671
InChI InChI=1S/C62H76O35/c1-27(67)83-24-39-51(86-29(3)69)53(92-58-48(79)46(77)43(74)36(21-64)87-58)50(81)60(89-39)93-54-52(91-42(73)18-13-31-11-16-35(71)33(19-31)20-63)40(25-84-28(2)68)90-61(55(54)94-59-49(80)47(78)44(75)37(22-65)88-59)97-62(26-85-41(72)17-12-30-9-14-34(70)15-10-30)56(45(76)38(23-66)96-62)95-57(82)32-7-5-4-6-8-32/h4-19,36-40,43-56,58-61,63-66,70-71,74-81H,20-26H2,1-3H3/b17-12+,18-13+
InChIKey YFGGZRSNRSSQAZ-PWDIZTEBSA-N
SMILES O(C1OC(C(OC(=O)/C=C/C2=CC(=C(O)C=C2)CO)C(OC3OC(C(OC(=O)C)C(OC4OC(C(O)C(O)C4O)CO)C3O)COC(=O)C)C1OC5OC(C(O)C(O)C5O)CO)COC(=O)C)C6(OC(C(O)C6OC(=O)C7=CC=CC=C7)CO)COC(=O)/C=C/C8=CC=C(O)C=C8
ChEBI Ontology
Outgoing Tenuifoliose A (CHEBI:228322) is a oligosaccharide (CHEBI:50699)
IUPAC Name
[2-[4-[5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(E)-3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enoyl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate