(Q63392367)

English

halocynthiaxanthin

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-1-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one

1 reference

based on heuristic

inferred from SMILES

(3E,5E,7E,9E)-1-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one

1 reference

based on heuristic

inferred from SMILES

mass

598.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₄O₄

0 references

canonical SMILES

O=C(C(=CC=CC(=CC=CC=C(C=CC=C(C#CC1=C(C)CC(O)CC1(C)C)C)C)C)C)CC23OC3(C)CC(O)CC2(C)C

0 references

isomeric SMILES

CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C

0 references

found in taxon

Corbicula japonica

1 reference

stated in

Carotenoids in three species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam).

Corbicula sandai

1 reference

stated in

Carotenoids in three species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam).

Halocynthia roretzi

4 references

stated in

A new carotenoid, halocynthiaxanthin from the sea squirt,

stated in

Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

stated in

Carotenoids of sea squirts. I. New marine carotenoids, halocynthiaxanthin and mytiloxanthinone from Halocynthia roretzi.

stated in

Carotenoids of sea squirts. I. New marine carotenoids, halocynthiaxanthin and mytiloxanthinone from Halocynthia roretzi.

Mytilus edulis

1 reference

stated in

Animal carotenoids. 32. Carotenoids of Mytilus edulis (edible mussel)

Aplidium pliciferum

2 references

stated in

Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

stated in

Carotenoids of tunicates. III. The structural elucidation of two new marine carotenoids, amarouciaxanthin A and B

Ascidia zara

1 reference

stated in

Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

Botryllus schlosseri

1 reference

stated in

Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

Ciona intestinalis

1 reference

stated in

Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

Didemnum moseleyi

1 reference

stated in

Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

Mytilus coruscus

1 reference

stated in

A New Apocarotenoid from the Marine ShellfishMytilus coruscus

Mytilus unguiculatus

1 reference

stated in

A New Apocarotenoid from the Marine ShellfishMytilus coruscus

Polycitor proliferus

1 reference

stated in

Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

Styela clava

1 reference

stated in

Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

Styela plicata

1 reference

stated in

Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

Meretrix petechialis

1 reference

stated in

Carotenoids in clams, Ruditapes philippinarum and Meretrix petechialis

Magallana gigas

1 reference

stated in

Structures of five new carotenoids from the oyster Crassostrea gigas

Crassostrea gigas

1 reference

stated in

Structures of five new carotenoids from the oyster Crassostrea gigas

Identifiers

InChI

InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34+,39-,40+/m1/s1

0 references

InChIKey

CNOIXMULOQWVGR-ABUIXNMTSA-N

0 references

PubChem CID

11966451

1 reference

matched by identifier from

InChIKey

CNOIXMULOQWVGR-ABUIXNMTSA-N

ChEBI ID

230562

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34+,39-,40+/m1/s1

1 reference

MassBank accession ID

MSBNK-Kyoto_Univ-CA000060

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

(Q63392367)

halocynthiaxanthin

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