input word = C00046619

Metabolite InformationStructural formula
Name Aphelaketotriol
(+)-Aphelaketotriol
Formula C27H44O7S
Mw 512.28077449
CAS RN 290826-05-0
C_ID C00046619 ,
InChIKey IHQIOLHBRTWRPG-ODVFEMRQNA-N
InChICode InChI=1S/C27H44O7S/c1-15(2)25(30)24(29)12-16(3)19-6-7-20-18-14-23(28)22-13-17(34-35(31,32)33)8-10-27(22,5)21(18)9-11-26(19,20)4/h9,15-20,22-23,25,28,30H,6-8,10-14H2,1-5H3,(H,31,32,33)/t16-,17+,18+,19-,20+,22-,23+,25-,26-,27-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)(C1=CC[C@]3([C@H]([C@@H]1C[C@@H]2O)CC[C@@H]3[C@@H](CC(=O)[C@@H](C(C)C)O)C)C)C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAsteriidaeAphelasterias japonica Ref.
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