(Q125617296)

English

(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-10,12,14,16,20,22-hexamethyl-8-methylsulfanyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

518.2702100639999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₆S

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canonical SMILES

O=C1C=C2OC3(O)C(SC)=C2C(=C1O)C4OC(CCC(C=C(C)CC(C)CC3C)C)C(C)C(O)C4C

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isomeric SMILES

CSC1=C2C3=CC(=O)C(O)=C2[C@@H]2O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@H](C)[C@]1(O)O3)[C@H](C)[C@H](O)[C@H]2C

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found in taxon

Verrucosispora

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stated in

Cytotoxic Kendomycins Containing the Carbacylic Ansa Scaffold from the Marine-Derived Verrucosispora sp. SCSIO 07399

Identifiers

InChI

InChI=1S/C29H42O6S/c1-14-8-9-21-18(5)25(31)19(6)27(34-21)24-23-22(13-20(30)26(24)32)35-29(33,28(23)36-7)17(4)12-16(3)11-15(2)10-14/h10,13-14,16-19,21,25,27,31-33H,8-9,11-12H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,21+,25-,27+,29-/m0/s1

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InChIKey

BRSYIZDGORMHPW-ZJEIIBDYSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

BRSYIZDGORMHPW-ZJEIIBDYSA-N

(Q125617296)

(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-10,12,14,16,20,22-hexamethyl-8-methylsulfanyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one

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Identifiers

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