(Q104392846)

English

6-Epikarpoxanthin

group of stereoisomers with the chemical formula C₄₀H₅₈O₄

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instance of

group of stereoisomers

0 references

1 reference

602.4335103359999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₈O₄

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canonical SMILES

OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2(O)C(O)(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)C1)C

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isomeric SMILES

CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\C2(O)C(C)(C)CC(O)CC2(C)O)C(C)(C)CC(O)C1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13-,18-14-,22-21-,24-23+,29-15-,30-16+,31-19-,32-20+

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InChIKey

DJOWTWWHMWQATC-BXBIEBEISA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DJOWTWWHMWQATC-BXBIEBEISA-N

ChEBI ID

176201

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13-,18-14-,22-21-,24-23+,29-15-,30-16+,31-19-,32-20+

1 reference

Human Metabolome Database ID

HMDB0034978

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DJOWTWWHMWQATC-BXBIEBEISA-N

(Q104392846)

6-Epikarpoxanthin

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