(Q105152280)

English

2-[(2S,4Z)-4-[(2E,4E,6E,8E,10E)-11-chloro-1-hydroxydodeca-2,4,6,8,10-pentaenylidene]-1-[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl]acetamide

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-(11-Chloro-1-hydroxydodeca-2,4,6,8,10-pentaenylidene)-1-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl]acetamide

1 reference

based on heuristic

inferred from SMILES

mass

626.18785224 dalton

1 reference

1 reference

2-[(2S,4Z)-4-[(2E,4E,6E,8E,10Z)-11-chloro-1-hydroxydodeca-2,4,6,8,10-pentaenylidene]-1-[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl]acetamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₅ClN₂O₁₂

0 references

canonical SMILES

CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)C(CC(N)=O)N(C2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1=O

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isomeric SMILES

C/C(Cl)=C\C=C\C=C\C=C\C=C\C(O)=C1/C(=O)[C@H](CC(N)=O)N([C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C1=O

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found in taxon

Theonella swinhoei

1 reference

stated in

Aurantosides G, H, and I: three new tetramic acid glycosides from a Papua New Guinea Theonella swinhoei.

Identifiers

InChI

InChI=1S/C28H35ClN2O12/c1-14(29)9-7-5-3-2-4-6-8-10-16(32)20-21(36)15(11-19(30)35)31(26(20)40)27-25(23(38)18(34)12-41-27)43-28-24(39)22(37)17(33)13-42-28/h2-10,15,17-18,22-25,27-28,32-34,37-39H,11-13H2,1H3,(H2,30,35)/b3-2+,6-4+,7-5+,10-8+,14-9+,20-16-/t15-,17+,18+,22+,23+,24-,25+,27-,28-/m0/s1

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InChIKey

LIMKXWLGCNDCHO-IZAQBDLYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LIMKXWLGCNDCHO-IZAQBDLYSA-N

(Q105152280)

2-[(2S,4Z)-4-[(2E,4E,6E,8E,10E)-11-chloro-1-hydroxydodeca-2,4,6,8,10-pentaenylidene]-1-[(2S,3R,4R,5R)-4,5-dihydroxy-3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl]acetamide

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Identifiers

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