RLIDGKWTTDJVIN-KSUDSBJXSA-N (Q105240121)

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chemical compound

Language	Label	Description	Also known as
English	RLIDGKWTTDJVIN-KSUDSBJXSA-N	chemical compound

Statements

type of chemical entity

0 references

(1R,2S)-1,2,14,15,16,19,20,21,35,36-decahydroxy-3,6,11,24,32-pentaoxo-2-(2-oxopropyl)-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.0⁵,³⁹.0⁸,²⁷.0⁹,³⁰.0¹²,¹⁷.0¹⁸,²³.0³³,³⁸]tetraconta-4,12(17),13,15,18,20,22,33,35,37-decaen-29-yl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

1,2,14,15,16,19,20,21,35,36-decahydroxy-3,6,11,24,32-pentaoxo-2-(2-oxopropyl)-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.0⁵,³⁹.0⁸,²⁷.0⁹,³⁰.0¹²,¹⁷.0¹⁸,²³.0³³,³⁸]tetraconta-4,12(17),13,15,18,20,22,33,35,37-decaen-29-yl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

992.113095764 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Galloyl 3-O,6-O-[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl)-2,2'-diylbiscarbonyl]-2-O,4-O-[[[(5aR)-3,4,5aalpha,6beta-tetrahydroxy-6-(2-oxopropyl)-7-oxo-5a,6,7,9aalpha-tetrahydrodibenzofuran]-1,9-diyl]biscarbonyl]beta-D-glucopyranoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₄H₃₂O₂₇

0 references

canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C4OC(=O)C5=CC(O)=C(O)C=6OC7(O)C(C(=CC(=O)C7(O)CC(=O)C)C(=O)OC2C4OC(=O)C8=CC(O)=C(O)C(O)=C8C=9C(O)=C(O)C(O)=CC19)C65

0 references

isomeric SMILES

CC(=O)C[C@]1(O)C(=O)C=C2C(=O)O[C@H]3[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC[C@H]3O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]4OC(=O)c3cc(O)c(O)c4c3[C@H]2[C@]1(O)O4

0 references

Acalypha indica

1 reference

Phenolics fromAcalypha indica

Identifiers

InChI=1S/C44H32O27/c1-10(45)8-43(63)22(51)7-15-26-25-14(6-20(50)30(55)34(25)71-44(26,43)64)40(61)69-36-35-33(67-41(15)62)21(66-42(36)70-37(58)11-2-16(46)27(52)17(47)3-11)9-65-38(59)12-4-18(48)28(53)31(56)23(12)24-13(39(60)68-35)5-19(49)29(54)32(24)57/h2-7,21,26,33,35-36,42,46-50,52-57,63-64H,8-9H2,1H3/t21-,26+,33-,35+,36-,42+,43+,44+/m1/s1

0 references

RLIDGKWTTDJVIN-KSUDSBJXSA-N

0 references

2 references

15 September 2022

matched by identifier from

RLIDGKWTTDJVIN-KSUDSBJXSA-N

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