(Q63395668)

inferred from SMILES

mass

598.402210208 dalton

1 reference

(2Z,4E,6E,8E,10E,12E,14E,16E)-3-hydroxy-19-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one

inferred from SMILES

stereoisomer of

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₄₀H₅₄O₄

0 references

canonical SMILES

O=C(C=C(O)C(=CC=CC(=CC=CC=C(C=CC=C(C#CC1=C(C)CC(O)CC1(C)C)C)C)C)C)C2(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(=C/C(=O)[C@@]2(C[C@H](CC2(C)C)O)C)/O)/C)/C

0 references

found in taxon

Asterias amurensis

1 reference

new acetylenic carotenoids from the starfishes Asterina pectinifera and Asterias amurensis

Mytilus edulis

3 references

Mytiloxanthin and isomytiloxanthin, two novel acetylenic carotenoids

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

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

Halocynthia roretzi

3 references

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

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

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

Aplidium pliciferum

2 references

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

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

Patiria pectinifera

1 reference

new acetylenic carotenoids from the starfishes Asterina pectinifera and Asterias amurensis

Botryllus schlosseri

1 reference

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

Ciona intestinalis

1 reference

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

Fusinus perplexus

1 reference

Carotenoids of shellfishes—X. Reductive metabolic pathways of echinenone and fritschiellaxanthin in the spindle shell Fusinus perplexus

Mytilus coruscus

1 reference

A New Apocarotenoid from the Marine ShellfishMytilus coruscus

Mytilus unguiculatus

1 reference

A New Apocarotenoid from the Marine ShellfishMytilus coruscus

Styela clava

1 reference

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

Styela plicata

1 reference

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

Crassostrea gigas

1 reference

Structures of five new carotenoids from the oyster Crassostrea gigas

Magallana gigas

1 reference

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

0 references

0 references

CAS Registry Number

50906-61-1

1 reference

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

11365423

1 reference

ChEBI ID

186207

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

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

1 reference

MassBank accession ID

MSBNK-Kyoto_Univ-CA000080

0 references

DSSTox substance ID

DTXSID801098266

1 reference

UNII

V7SW593FSE

1 reference