(Q105368210)

English

(4R)-3-(hydroxymethyl)-5,5-dimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-(Hydroxymethyl)-5,5-dimethyl-4-[3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

534.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₂O₁₂

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canonical SMILES

O=C1C=C(CO)C(CCC(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C)C(C)(C)C1

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isomeric SMILES

C[C@@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H](C)CC[C@H]3C(CO)=CC(=O)CC3(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Ornithogalum umbellatum

1 reference

stated in

Accumulation of apocarotenoids in mycorrhizal roots of Ornithogalum umbellatum

Identifiers

InChI

InChI=1S/C25H42O12/c1-11(5-6-15-13(9-26)7-14(27)8-25(15,3)4)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)12(2)36-23/h7,11-12,15-24,26,28-33H,5-6,8-10H2,1-4H3/t11-,12+,15+,16-,17+,18-,19-,20+,21-,22-,23+,24-/m1/s1

0 references

InChIKey

YXUUHUGPBVVPLB-CIRKMDQYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YXUUHUGPBVVPLB-CIRKMDQYSA-N

(Q105368210)

(4R)-3-(hydroxymethyl)-5,5-dimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl]cyclohex-2-en-1-one

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