(Q105003347)

English

[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]oxan-4-yl] acetate

chemical compound

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type of chemical entity

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subclass of

chemical compound

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mass

490.074740636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₁₈O₁₃

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canonical SMILES

O=C1OC=2C(O)=C(OC3OC(C)C(O)C(OC(=O)C)C3O)C=C4C(=O)OC5=C(O)C(O)=CC1=C5C24

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)[C@@H]1O

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found in taxon

Siphoneugena densiflora

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stated in

Bioactivity of extracts and isolated compounds from Vitex polygama (Verbenaceae) and Siphoneugena densiflora (Myrtaceae) against Spodoptera frugiperda (Lepidoptera: Noctuidae).

Identifiers

InChI

InChI=1S/C22H18O13/c1-5-13(25)19(32-6(2)23)16(28)22(31-5)33-10-4-8-12-11-7(20(29)35-18(12)15(10)27)3-9(24)14(26)17(11)34-21(8)30/h3-5,13,16,19,22,24-28H,1-2H3/t5-,13-,16+,19+,22-/m0/s1

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InChIKey

FWLMKEVVQAYJNO-BGTADKINSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FWLMKEVVQAYJNO-BGTADKINSA-N

(Q105003347)

[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]oxan-4-yl] acetate

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Identifiers

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