(Q105211346)

English

3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16,20,24-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacosa-1,3,5,7,9,11,13,15,17,19-decaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

group of stereoisomers with the chemical formula C₄₆H₆₆O₇

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Statements

instance of

group of stereoisomers

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1 reference

730.480854452 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₆H₆₆O₇

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canonical SMILES

O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C)CCCC(OC2OC(CO)C(O)C(O)C2O)(C)C)C)C)C)C)C(C)(C)CC1)C

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isomeric SMILES

CC(=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C)CCCC(C)(C)OC1OC(CO)C(O)C(O)C1O

1 reference

based on heuristic

inferred from InChI

found in taxon

Rhodococcus rhodochrous

1 reference

stated in

Carotenoid pigments from Rhodococcus rhodochrous RNMS1: Two monocyclic carotenoids, a carotenoid monoglycoside and carotenoid glycoside monoesters.

Identifiers

InChI

InChI=1S/C46H66O7/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-27-38-37(6)39(48)28-30-45(38,7)8)19-13-21-34(3)22-14-23-35(4)25-16-29-46(9,10)53-44-43(51)42(50)41(49)40(31-47)52-44/h11-15,17-24,26-27,40-44,47,49-51H,16,25,28-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,27-26+,32-17+,33-18+,34-21+,35-23?,36-24+

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InChIKey

PLZRVZWMWJQZSE-DSWSVDFDSA-N

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(Q105211346)

3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16,20,24-hexamethyl-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacosa-1,3,5,7,9,11,13,15,17,19-decaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

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