(Q105242270)

English

2-[(2S)-2-[2-[(2S)-2-[2-[(2S)-2-[2-[(2S)-2-(2,4-dihydroxy-6-methylbenzoyl)oxypropyl]-4,6-dihydroxybenzoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxypropyl]-4,6-dihydroxybenzoic acid

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

944.273893936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₄₈O₂₀

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canonical SMILES

O=C(O)C=1C(O)=CC(O)=CC1CC(OC(=O)C=2C(O)=CC(O)=CC2CC(OC(=O)C=3C(O)=CC(O)=CC3CC(OC(=O)C=4C(O)=CC(O)=CC4CC(OC(=O)C=5C(O)=CC(O)=CC5C)C)C)C)C

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isomeric SMILES

Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)Cc1cc(O)cc(O)c1C(=O)O

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found in taxon

Taphrina

1 reference

stated in

Absolute stereochemistry of unusual biopolymers from Ascomycete culture LL-W1278: examples that derivatives of (S)-6-hydroxymellein are also natural fungal metabolites

Identifiers

InChI

InChI=1S/C48H48O20/c1-20-6-29(49)15-34(54)39(20)45(61)65-22(3)8-26-12-31(51)17-36(56)41(26)47(63)67-24(5)10-28-14-33(53)19-38(58)43(28)48(64)68-23(4)9-27-13-32(52)18-37(57)42(27)46(62)66-21(2)7-25-11-30(50)16-35(55)40(25)44(59)60/h6,11-19,21-24,49-58H,7-10H2,1-5H3,(H,59,60)/t21-,22-,23-,24-/m0/s1

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InChIKey

ROKCVTBWTDTZJL-ZJZGAYNASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ROKCVTBWTDTZJL-ZJZGAYNASA-N

ChEBI ID

209935

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C48H48O20/c1-20-6-29(49)15-34(54)39(20)45(61)65-22(3)8-26-12-31(51)17-36(56)41(26)47(63)67-24(5)10-28-14-33(53)19-38(58)43(28)48(64)68-23(4)9-27-13-32(52)18-37(57)42(27)46(62)66-21(2)7-25-11-30(50)16-35(55)40(25)44(59)60/h6,11-19,21-24,49-58H,7-10H2,1-5H3,(H,59,60)/t21-,22-,23-,24-/m0/s1

1 reference

Natural Product Atlas ID

NPA018465

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ROKCVTBWTDTZJL-ZJZGAYNASA-N

(Q105242270)

2-[(2S)-2-[2-[(2S)-2-[2-[(2S)-2-[2-[(2S)-2-(2,4-dihydroxy-6-methylbenzoyl)oxypropyl]-4,6-dihydroxybenzoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxypropyl]-4,6-dihydroxybenzoic acid

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