(Q104909055)

English

(1R,13S)-6,9,13,16,18-pentahydroxy-1,5-bis(4-hydroxyphenyl)-4,12,21-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaene-7,14-dione

chemical compound

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instance of

type of chemical entity

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subclass of

6,9,13,16,18-Pentahydroxy-1,5-bis(4-hydroxyphenyl)-4,12,21-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaene-7,14-dione

1 reference

based on heuristic

inferred from SMILES

mass

570.079826016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₁₈O₁₂

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canonical SMILES

O=C1C(O)=C(OC=2C1=C(O)C=C3OC4(O)C(=O)C=5C(O)=CC(O)=CC5OC4(C6=CC=C(O)C=C6)C32)C=7C=CC(O)=CC7

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isomeric SMILES

O=C1c2c(O)cc(O)cc2O[C@]2(c3ccc(O)cc3)c3c(cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc34)O[C@]12O

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found in taxon

Vahlia capensis

1 reference

stated in

Phenolic and antibacterial constituents of Vahlia capensis

Identifiers

InChI

InChI=1S/C30H18O12/c31-14-5-1-12(2-6-14)26-25(37)24(36)22-18(35)11-20-23(27(22)40-26)29(13-3-7-15(32)8-4-13)30(39,42-20)28(38)21-17(34)9-16(33)10-19(21)41-29/h1-11,31-35,37,39H/t29-,30-/m1/s1

0 references

InChIKey

ACEZXKGUNYXQAF-LOYHVIPDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104909055)

(1R,13S)-6,9,13,16,18-pentahydroxy-1,5-bis(4-hydroxyphenyl)-4,12,21-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaene-7,14-dione

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