input word = C00040308

Metabolite InformationStructural formula
Name Sinulaflexiolide A
(-)-Sinulaflexiolide A
Formula C40H62O9
Mw 686.43938358
CAS RN 1040402-22-9
C_ID C00040308 ,
InChIKey RWILLILBLITYLA-DSBSKNEENA-N
InChICode InChI=1S/C40H62O9/c1-25-9-7-18-36(3,43)32-23-27(15-20-38(5)30(48-38)13-11-25)29(34(41)46-32)17-22-40(45)28-16-21-39(6)31(49-39)14-12-26(2)10-8-19-37(4,44)33(24-28)47-35(40)42/h9-10,27-33,43-45H,7-8,11-24H2,1-6H3/b25-9-,26-10-/t27-,28-,29-,30+,31+,32+,33+,36+,37-,38+,39+,40+/m1/s1
SMILES C1/C=C(\CC[C@H]2[C@](CC[C@@H]3C[C@@H]([C@](C1)(C)O)OC(=O)[C@@]3(CC[C@H]1C(=O)O[C@H]3C[C@H]1CC[C@]1([C@H](CC/C(=C\CC[C@@]3(O)C)/C)O1)C)O)(O2)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia flexibilis Ref.
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