(Q111734435)

English

Spirolide D

group of stereoisomers with the chemical formula C₄₃H₆₅NO₇

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

707.47610342 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₆₅NO₇

0 references

canonical SMILES

O=C1OC(C2=C(C)C3C=C(C)C(O)CC4OC5(OC6(OC(CC(=C)CCCC7=NCC(C)C(C)CC73CC2)CCC6(O)C)CC5)CC4C)CC1C

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isomeric SMILES

C=C1CCCC2=NCC(C)C(C)CC23CCC(C2CC(C)C(=O)O2)=C(C)C3/C=C(/C)C(O)CC2OC3(CCC4(OC(CCC4(C)O)C1)O3)CC2C

1 reference

based on heuristic

inferred from InChI

found in taxon

Atlantic deep-sea scallop

1 reference

stated in

Spirolides B and D, two novel macrocycles isolated from the digestive glands of shellfish

Identifiers

InChI

InChI=1S/C43H65NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19,27-30,32,34-37,45,47H,1,9-18,20-24H2,2-8H3/b26-19-

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InChIKey

DCBUZOVCNASVLD-XHPQRKPJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DCBUZOVCNASVLD-XHPQRKPJSA-N

ChEBI ID

190803

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C43H65NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19,27-30,32,34-37,45,47H,1,9-18,20-24H2,2-8H3/b26-19-

(Q111734435)

Spirolide D

Statements

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