(Q110184651)

English

Hydratopyrrhoxanthinol

group of stereoisomers with the chemical formula C₃₇H₄₈O₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

588.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₈O₆

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canonical SMILES

O=C1OC(C=C1C=CC2(O)C(O)(C)CC(O)CC2(C)C)=CC(=CC=CC=CC=C(C#CC3=C(C)CC(O)CC3(C)C)C)C

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isomeric SMILES

CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/C3(O)C(C)(C)CC(O)CC3(C)O)C(=O)O2)C(C)(C)CC(O)C1

1 reference

1 reference

Carotenoids of the dinophyceae

Identifiers

InChI

InChI=1S/C37H48O6/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13-,26-14+,31-19+

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InChIKey

NKLWCOIOKXMOKC-FSEXIHCTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NKLWCOIOKXMOKC-FSEXIHCTSA-N

ChEBI ID

176155

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C37H48O6/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13-,26-14+,31-19+

1 reference

Human Metabolome Database ID

HMDB0036842

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NKLWCOIOKXMOKC-FSEXIHCTSA-N

(Q110184651)

Hydratopyrrhoxanthinol

Statements

Identifiers

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