(Q105211257)

English

Capsochrome

group of stereoisomers with the chemical formula C₄₀H₅₆O₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

600.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₄

0 references

canonical SMILES

O=C(C=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C1OC2(C(=C1)C(C)(C)CC(O)C2)C)C)C)C)C3(C)CC(O)CC3(C)C

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isomeric SMILES

CC(=C/C=C\C(C)=C\C=C/C(C)=C/C=C/C=C(/C)C1C=C2C(C)(C)CC(O)CC2(C)O1)/C=C/C(=O)C1(C)CC(O)CC1(C)C

1 reference

1 reference

Carotenoids in representatives of theProtousnea (Parmeliaceae), endemic genus from South America

Identifiers

InChI

InChI=1S/C40H56O4/c1-28(15-11-12-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34)16-13-17-29(2)18-14-19-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,16-13-,18-14-,22-21+,28-15+,29-17+,30-19-,31-20-

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InChIKey

PLVBBQBJTBWTDY-XGNSBGGRSA-N

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1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

192923

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C40H56O4/c1-28(15-11-12-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34)16-13-17-29(2)18-14-19-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,16-13-,18-14-,22-21+,28-15+,29-17+,30-19-,31-20-

1 reference

Human Metabolome Database ID

HMDB0036913

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PLVBBQBJTBWTDY-XGNSBGGRSA-N

(Q105211257)

Capsochrome

Statements

Identifiers

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