(Q104917006)

English

(2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]hexacos-17-enamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

863.685033556 dalton

1 reference

1 reference

C₅₁H₉₃NO₉

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canonical SMILES

CCCCCCCC=CC(C)=CCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCCC=CCCCCCCCC

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isomeric SMILES

CCCCCCC/C=C/C(C)=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCC=CCCCCCCCC

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found in taxon

Haliclona

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stated in

Renierosides, cerebrosides from a marine sponge Haliclona (Reniera) sp

Identifiers

InChI

InChI=1S/C51H93NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-34-39-45(55)50(59)52-43(41-60-51-49(58)48(57)47(56)46(40-53)61-51)44(54)38-35-31-33-37-42(3)36-32-29-27-11-9-7-5-2/h15-16,32,35-38,43-49,51,53-58H,4-14,17-31,33-34,39-41H2,1-3H3,(H,52,59)/b16-15?,36-32+,38-35+,42-37+/t43-,44+,45+,46+,47+,48-,49+,51+/m0/s1

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InChIKey

AQQLKBRQBGXQRR-VXWKNOFBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AQQLKBRQBGXQRR-VXWKNOFBSA-N

(Q104917006)

(2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]hexacos-17-enamide

Statements

Identifiers

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