input word = C00041382

Metabolite InformationStructural formula
Name Bisfucotriphlorethol-A pentadeca acetate
Formula C66H56O33
Mw 1376.27038432
CAS RN 79003-53-5
C_ID C00041382 ,
InChIKey YGUDIPUOYRKASH-UHFFFAOYSA-N
InChICode InChI=1S/C66H56O33/c1-27(67)82-42-16-43(83-28(2)68)18-44(17-42)97-62-54(98-63-56(93-38(12)78)25-52(91-36(10)76)60(65(63)95-40(14)80)58-48(87-32(6)72)19-45(84-29(3)69)20-49(58)88-33(7)73)23-47(86-31(5)71)24-55(62)99-64-57(94-39(13)79)26-53(92-37(11)77)61(66(64)96-41(15)81)59-50(89-34(8)74)21-46(85-30(4)70)22-51(59)90-35(9)75/h16-26H,1-15H3
SMILES c1(cc(cc(c1Oc1cc(cc(c1)OC(=O)C)OC(=O)C)Oc1c(c(c(cc1OC(=O)C)OC(=O)C)c1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(cc(c(c1OC(=O)C)c1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCystophora retroflexa Ref.
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OrganismCystophora retroflexa
ReferenceSailler,J.Nat.Prod.,69,(2006),869