input word = C00047553

Metabolite InformationStructural formula
Name Ptilosteroid A
(-)-Ptilosteroid A
Formula C21H34O8S
Mw 446.19743879
CAS RN 1134361-78-6
C_ID C00047553 ,
InChIKey QRMSSNGYWMVNBN-OGOYEUQUNA-N
InChICode InChI=1S/C21H34O8S/c1-4-11-16(22)19(25)15-10-5-6-13-17(23)18(24)14(29-30(26,27)28)9-21(13,3)12(10)7-8-20(11,15)2/h4,10-19,22-25H,1,5-9H2,2-3H3,(H,26,27,28)/t10-,11+,12+,13+,14+,15-,16-,17-,18+,19+,20+,21-/m1/s1
SMILES C=C[C@H]1[C@@H](O)[C@@H](O)[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@@H](O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaePtilocaulis spiculifer Ref.
zoom in



OrganismPtilocaulis spiculifer
ReferenceGabant,J.Nat.Prod.,72,(2009),760