input word = C00047554

Metabolite InformationStructural formula
Name Ptilosteroid B
(+)-Ptilosteroid B
Formula C21H34O7S
Mw 430.20252417
CAS RN 1134361-79-7
C_ID C00047554 ,
InChIKey PALXRPIPFWOBFC-KQFRIOCCNA-N
InChICode InChI=1S/C21H34O7S/c1-4-12-16(22)9-15-11-5-6-14-18(23)19(24)17(28-29(25,26)27)10-21(14,3)13(11)7-8-20(12,15)2/h4,11-19,22-24H,1,5-10H2,2-3H3,(H,25,26,27)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21-/m1/s1
SMILES C1[C@H]2[C@@H](CC[C@@H]3[C@@]2(C[C@@H]([C@@H]([C@@H]3O)O)OS(=O)(=O)O)C)[C@H]2[C@@](C1)([C@H]([C@H](C2)O)C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaePtilocaulis spiculifer Ref.
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OrganismPtilocaulis spiculifer
ReferenceGabant,J.Nat.Prod.,72,(2009),760