(Q77517149)

English

(2S,3R)-4-methylidene-5-oxo-2-[(14S)-14-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypentadecyl]oxolane-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

692.361921092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₆O₁₅

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canonical SMILES

O=C(O)C1C(=C)C(=O)OC1CCCCCCCCCCCCCC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C

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isomeric SMILES

C=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@H](C)OC2OC(COC3OC(CO)C(O)C(O)C3O)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/C33H56O15/c1-18(14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(30(41)42)19(2)31(43)46-20)45-33-29(40)27(38)25(36)22(48-33)17-44-32-28(39)26(37)24(35)21(16-34)47-32/h18,20-29,32-40H,2-17H2,1H3,(H,41,42)/t18-,20-,21?,22?,23+,24?,25?,26?,27?,28?,29?,32?,33?/m0/s1

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InChIKey

PTFJXEMZCYFRLR-AMGBDURPSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

139586900

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

PTFJXEMZCYFRLR-AMGBDURPSA-N

ChEBI ID

208139

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C33H56O15/c1-18(14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(30(41)42)19(2)31(43)46-20)45-33-29(40)27(38)25(36)22(48-33)17-44-32-28(39)26(37)24(35)21(16-34)47-32/h18,20-29,32-40H,2-17H2,1H3,(H,41,42)/t18-,20-,21?,22?,23+,24?,25?,26?,27?,28?,29?,32?,33?/m0/s1

1 reference

Natural Product Atlas ID

NPA013728

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PTFJXEMZCYFRLR-AMGBDURPSA-N

(Q77517149)

(2S,3R)-4-methylidene-5-oxo-2-[(14S)-14-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypentadecyl]oxolane-3-carboxylic acid

Statements

Identifiers

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