(Q104197354)

English

[3,5-Dihydroxy-6-[2-hydroxy-3-(13-methyltetradecanoyloxy)propoxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 13-methyltetradecanoate

group of stereoisomers with the chemical formula C₄₅H₈₄O₁₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

864.581021988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₈₄O₁₅

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canonical SMILES

O=C(OCC(O)COC1OC(COC(=O)CCCCCCCCCCCC(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)CCCCCCCCCCCC(C)C

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found in taxon

Microbacterium

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stated in

Production and structure elucidation of glycoglycerolipids from a marine sponge-associated microbacterium species

Identifiers

InChI

InChI=1S/C45H84O15/c1-31(2)23-19-15-11-7-5-9-13-17-21-25-36(48)55-28-33(47)29-57-44-42(54)43(60-45-41(53)40(52)38(50)34(27-46)58-45)39(51)35(59-44)30-56-37(49)26-22-18-14-10-6-8-12-16-20-24-32(3)4/h31-35,38-47,50-54H,5-30H2,1-4H3

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InChIKey

SJJVZUVBVKZIAT-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SJJVZUVBVKZIAT-UHFFFAOYSA-N

ChEBI ID

216089

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C45H84O15/c1-31(2)23-19-15-11-7-5-9-13-17-21-25-36(48)55-28-33(47)29-57-44-42(54)43(60-45-41(53)40(52)38(50)34(27-46)58-45)39(51)35(59-44)30-56-37(49)26-22-18-14-10-6-8-12-16-20-24-32(3)4/h31-35,38-47,50-54H,5-30H2,1-4H3

1 reference

Natural Product Atlas ID

NPA019614

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SJJVZUVBVKZIAT-UHFFFAOYSA-N

(Q104197354)

[3,5-Dihydroxy-6-[2-hydroxy-3-(13-methyltetradecanoyloxy)propoxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 13-methyltetradecanoate

Statements

Identifiers

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