input word = C00049889

Metabolite InformationStructural formula
Name Petrosaspongiolide R
Formula C25H36O5
Mw 416.25627426
CAS RN 209408-76-4
C_ID C00049889 ,
InChIKey QBUNBRGDEZXPAU-KZUXWPJINA-N
InChICode InChI=1S/C25H36O5/c1-23(2)11-5-12-25(4)18(23)10-13-24(3)17(16(21(27)28)7-9-19(24)25)8-6-15-14-20(26)30-22(15)29/h6,8,14,16-19,22,29H,5,7,9-13H2,1-4H3,(H,27,28)/b8-6+/t16-,17+,18-,19+,22-,24+,25-/m0/s1
SMILES CC1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(=O)O)[C@@H](/C=C/C4=CC(=O)OC4O)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosaspongia nigra Ref.
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