input word = C00000440

Metabolite InformationStructural formula
Name Bacillariolide I
Formula C20H28O3
Mw 316.20384476
CAS RN 126857-23-6
C_ID C00000440 ,
InChIKey MUYSCJDPOFJXIF-DRGXPKBZNA-N
InChICode InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-16(20(22)23-18)14-15-17(19)21/h3-4,6-7,9-10,12-13,16-19,21H,2,5,8,11,14-15H2,1H3/b4-3-,7-6-,10-9-,13-12-/t16-,17+,18+,19-/m1/s1
SMILES CC/C=C\C/C=C\C/C=C\C/C=C\[C@H]1[C@@H]2[C@H](C(=O)O1)CC[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataBacillariaceaeNitzschia pungens Ref.
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