(Q77279024)

English

(2S,3S)-2-[(14R)-14-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid

bioactive natural product

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

854.414744512 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₆O₂₀

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canonical SMILES

O=C(O)C1C(=C)C(=O)OC1CCCCCCCCCCCCCC(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC4OC(CO)C(O)C(O)C4O)C

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isomeric SMILES

C=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@@H](C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)[C@H]1C(=O)O

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found in taxon

Pleopsidium gobiense

1 reference

stated in

Further glucosides of lichens' acids from Central Asian lichens

Identifiers

InChI

InChI=1S/C39H66O20/c1-19(14-12-10-8-6-4-3-5-7-9-11-13-15-21-25(35(50)51)20(2)36(52)54-21)53-39-34(59-38-32(49)30(47)27(44)23(17-41)56-38)33(28(45)24(18-42)57-39)58-37-31(48)29(46)26(43)22(16-40)55-37/h19,21-34,37-49H,2-18H2,1H3,(H,50,51)/t19-,21+,22?,23?,24?,25+,26?,27?,28?,29?,30?,31?,32?,33?,34?,37?,38?,39?/m1/s1

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InChIKey

MKURTYXIKASPFJ-OYNPUQFGSA-N

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language of work or name

English

stated in

Natural Product Atlas

PubChem CID

139584057

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

MKURTYXIKASPFJ-OYNPUQFGSA-N

ChEBI ID

200520

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C39H66O20/c1-19(14-12-10-8-6-4-3-5-7-9-11-13-15-21-25(35(50)51)20(2)36(52)54-21)53-39-34(59-38-32(49)30(47)27(44)23(17-41)56-38)33(28(45)24(18-42)57-39)58-37-31(48)29(46)26(43)22(16-40)55-37/h19,21-34,37-49H,2-18H2,1H3,(H,50,51)/t19-,21+,22?,23?,24?,25+,26?,27?,28?,29?,30?,31?,32?,33?,34?,37?,38?,39?/m1/s1

1 reference

Natural Product Atlas ID

NPA003448

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MKURTYXIKASPFJ-OYNPUQFGSA-N

(Q77279024)

(2S,3S)-2-[(14R)-14-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid

Statements

Identifiers

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