(Q83093899)

English

(1,1'-Biphenyl)-2,2',4,4',6,6'-hexol, 3-(3,5-bis(acetyloxy)-2-(3,5-bis(acetyloxy)phenoxy)phenoxy)-, hexaacetate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

918.185472856 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₄H₃₈O₂₂

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canonical SMILES

CC(=O)OC1=CC(=CC(=C1)OC2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC3=C(C=C(C(=C3OC(=O)C)C4=C(C=C(C=C4OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

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found in taxon

Cystophora torulosa

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stated in

Phlorotannins from the brown alga Cystophora torulosa

Cystoseira baccata

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stated in

Antibiotics from algae. XX. Low molecular phlorotannins from Cystoseirs baccata

Identifiers

InChI

InChI=1S/C44H38O22/c1-19(45)55-29-11-30(56-20(2)46)13-31(12-29)65-42-37(62-26(8)52)16-33(58-22(4)48)17-38(42)66-43-39(63-27(9)53)18-36(61-25(7)51)41(44(43)64-28(10)54)40-34(59-23(5)49)14-32(57-21(3)47)15-35(40)60-24(6)50/h11-18H,1-10H3

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InChIKey

MKGRUJGANXYXJB-UHFFFAOYSA-N

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matched by identifier from

InChIKey

MKGRUJGANXYXJB-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

MKGRUJGANXYXJB-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID40139883

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(Q83093899)

(1,1'-Biphenyl)-2,2',4,4',6,6'-hexol, 3-(3,5-bis(acetyloxy)-2-(3,5-bis(acetyloxy)phenoxy)phenoxy)-, hexaacetate

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