input word = C00047555

Metabolite InformationStructural formula
Name Ptilosteroid C
Formula C21H34O7S
Mw 430.20252417
CAS RN 1134361-81-1
C_ID C00047555 ,
InChIKey KFOPOXHOEMKJHW-JWVLQKILNA-N
InChICode InChI=1S/C21H34O7S/c1-4-11-9-15(22)17-12-5-6-14-18(23)19(24)16(28-29(25,26)27)10-21(14,3)13(12)7-8-20(11,17)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+/m0/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[C@H]2O)C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaePtilocaulis spiculifer Ref.
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