(Q105034358)

English

(5S)-1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S)-3,4,4-trihydroxyoxolan-2-yl]oxymethyl]oxan-2-yl]oxyheptan-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic alkylphenol

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mass

594.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₁₃

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canonical SMILES

O=C(CCC1=CC=C(O)C=C1)CC(OC2OC(COC3OCC(O)(O)C3O)C(O)C(O)C2O)CCC4=CC=C(O)C=C4

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isomeric SMILES

O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OCC(O)(O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O

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found in taxon

Betula platyphylla var. japonica

1 reference

stated in

Hepatoprotective, superoxide scavenging, and antioxidative activities of aromatic constituents from the bark of Betula platyphylla var. japonica

Identifiers

InChI

InChI=1S/C29H38O13/c30-18-7-1-16(2-8-18)5-11-20(32)13-21(12-6-17-3-9-19(31)10-4-17)41-27-25(35)24(34)23(33)22(42-27)14-39-28-26(36)29(37,38)15-40-28/h1-4,7-10,21-28,30-31,33-38H,5-6,11-15H2/t21-,22+,23-,24+,25+,26-,27+,28+/m0/s1

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InChIKey

HVNMLWSTCLPHGM-IODGDAPUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HVNMLWSTCLPHGM-IODGDAPUSA-N

1 reference

(Q105034358)

(5S)-1,7-bis(4-hydroxyphenyl)-5-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S)-3,4,4-trihydroxyoxolan-2-yl]oxymethyl]oxan-2-yl]oxyheptan-3-one

Statements

Identifiers

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