(Q105181290)

English

Heterophylliin A

group of stereoisomers with the chemical formula C₃₄H₂₆O₂₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

786.091572472 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₂₆O₂₂

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canonical SMILES

O=C(OC1OC2COC(=O)C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC2C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C1O)C6=CC(O)=C(O)C(O)=C6

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found in taxon

clove

1 reference

stated in

Isolation of virus-cell fusion inhibitory components from Eugenia caryophyllata

Fordia fruticosa

1 reference

stated in

Woodfordin C, a macro-ring hydrolyzable tannin dimer with antitumor activity, and accompanying dimers from Woodfordia fruticosa flowers

Identifiers

InChI

InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)34(56-31(49)9-3-14(37)22(42)15(38)4-9)53-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28(18)29)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2

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InChIKey

NLDMNSXOCDLTTB-UHFFFAOYSA-N

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CAS Registry Number

87687-52-3

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

167703

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)34(56-31(49)9-3-14(37)22(42)15(38)4-9)53-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28(18)29)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2

1 reference

1 reference

matched by identifier from

InChIKey

NLDMNSXOCDLTTB-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0039264

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NLDMNSXOCDLTTB-UHFFFAOYSA-N

KNApSAcK ID

C00054313

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NLDMNSXOCDLTTB-UHFFFAOYSA-N

(Q105181290)

Heterophylliin A

Statements

Identifiers

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