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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18O9
Molecular Weight 402.3515
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FRANGULIN B

SMILES

CC1=CC2=C(C(=O)C3=C(C=C(O[C@@H]4OC[C@](O)(CO)[C@H]4O)C=C3O)C2=O)C(O)=C1

InChI

InChIKey=AEQMIFRODRFTJF-SLFFLAALSA-N
InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H18O9
Molecular Weight 402.3515
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:16:41 UTC 2023
Edited
by admin
on Fri Dec 15 21:16:41 UTC 2023
Record UNII
8CIK094KBU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FRANGULIN B
Common Name English
9,10-ANTHRACENEDIONE, 3-(D-APIO-.BETA.-D-FURANOSYLOXY)-1,8-DIHYDROXY-6-METHYL-
Common Name English
6-O-(D-APIOFURANOSYL)-1,6,8-TRIHYDROXY-3-METHYLANTHRAQUINONE
Common Name English
FRANGULIN B [MI]
Common Name English
Code System Code Type Description
MESH
C007781
Created by admin on Fri Dec 15 21:16:42 UTC 2023 , Edited by admin on Fri Dec 15 21:16:42 UTC 2023
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FDA UNII
8CIK094KBU
Created by admin on Fri Dec 15 21:16:42 UTC 2023 , Edited by admin on Fri Dec 15 21:16:42 UTC 2023
PRIMARY
MERCK INDEX
m5562
Created by admin on Fri Dec 15 21:16:42 UTC 2023 , Edited by admin on Fri Dec 15 21:16:42 UTC 2023
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EPA CompTox
DTXSID80930972
Created by admin on Fri Dec 15 21:16:42 UTC 2023 , Edited by admin on Fri Dec 15 21:16:42 UTC 2023
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ECHA (EC/EINECS)
237-953-9
Created by admin on Fri Dec 15 21:16:42 UTC 2023 , Edited by admin on Fri Dec 15 21:16:42 UTC 2023
PRIMARY
CAS
14101-04-3
Created by admin on Fri Dec 15 21:16:42 UTC 2023 , Edited by admin on Fri Dec 15 21:16:42 UTC 2023
PRIMARY
PUBCHEM
442744
Created by admin on Fri Dec 15 21:16:42 UTC 2023 , Edited by admin on Fri Dec 15 21:16:42 UTC 2023
PRIMARY