(Q104253070)

English

Phaeophytin A

group of stereoisomers with the chemical formula C₅₅H₇₄N₄O₅

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instance of

group of stereoisomers

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1 reference

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870.565921468 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₅H₇₄N₄O₅

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canonical SMILES

O=C(OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)CCC1C=2NC(=CC3=NC(=CC4=NC(=CC=5N=C6C(=C(O)C(C(=O)OC)C62)C5C)C(=C4C)CC)C(C=C)=C3C)C1C

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isomeric SMILES

C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C

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Megaceros flagellaris

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stated in

Phytyl esters and phaeophytins from the hornwort Megaceros flagellaris

Ophiorrhiza pumila

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stated in

Constituents of regenerated plants of Ophiorrhiza pumila; formation of a new glycocamptothecin and predominant formation of (3R)-deoxypumiloside over (3S)-congener

Richardia grandiflora

1 reference

stated in

Chemical constiuents from Richardia grandiflora (Cham. & Schltdl.) Steud. (Rubiaceae)

Tapura fischeri

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stated in

Phaeophytins from Tapura fischeri

Identifiers

InChI

InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?

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InChIKey

FDHFJXKRMIVNCQ-RRNMINROSA-N

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3 references

26 December 2021

15 September 2022

matched by identifier from

InChIKey

FDHFJXKRMIVNCQ-RRNMINROSA-N

1 reference

(Q104253070)

Phaeophytin A

Statements

Identifiers

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