(Q105031047)

English

(5aS,10aR)-2-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

776.283276848 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₄₄O₁₂

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canonical SMILES

O=C(C1=CC=C2OC(C)(C)CCC2=C1O)C3C(C=C(C)CC3C4=CC=C(O)C=C4O)C5=C(O)C=C6OC7(C8=CC=C(O)C=C8OC7(O)C(=O)C6=C5O)CC=C(C)C

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isomeric SMILES

CC(C)=CC[C@@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc5c(c4O)CCC(C)(C)O5)c(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12

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found in taxon

Morus cathayana

1 reference

stated in

Isoprenylated flavanones from Morus cathayana

Identifiers

InChI

InChI=1S/C45H44O12/c1-21(2)12-15-44-30-10-7-24(47)19-34(30)57-45(44,54)42(53)38-35(56-44)20-32(49)37(41(38)52)29-17-22(3)16-28(25-8-6-23(46)18-31(25)48)36(29)40(51)27-9-11-33-26(39(27)50)13-14-43(4,5)55-33/h6-12,17-20,28-29,36,46-50,52,54H,13-16H2,1-5H3/t28-,29+,36-,44+,45+/m1/s1

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InChIKey

HNSXDQKWZZPTBC-IDYHGMLLSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

HNSXDQKWZZPTBC-IDYHGMLLSA-N

(Q105031047)

(5aS,10aR)-2-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

Statements

Identifiers

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