input word = C00043438

Metabolite InformationStructural formula
Name Cystoseirone diacetate
Formula C31H42O8
Mw 542.28796832
CAS RN 676340-01-5
C_ID C00043438 ,
InChIKey MHSLDDKVEUOFDT-OGBBKBRUNA-N
InChICode InChI=1S/C31H42O8/c1-18-14-22(35-19(2)32)15-21-10-13-28(6,37-25(18)21)16-23(34)26-29(7)11-9-12-30(29,8)31(38-26)17-24(36-20(3)33)27(4,5)39-31/h14-15,24,26H,9-13,16-17H2,1-8H3/t24-,26-,28-,29+,30+,31+/m0/s1
SMILES C1C[C@]2([C@@](C1)([C@]1(O[C@H]2C(=O)C[C@@]2(CCc3c(O2)c(cc(c3)OC(=O)C)C)C)OC([C@H](C1)OC(=O)C)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AlgaeCystoseiraceaeCystoseira sp. Ref.
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OrganismCystoseira sp.
ReferenceNavarro,J.Nat.Prod.,67,(2004),495