input word = C00049888

Metabolite InformationStructural formula
Name Petrosaspongiolide Q
Formula C27H40O7
Mw 476.27740363
CAS RN 209408-75-3
C_ID C00049888 ,
InChIKey YKDMAPXQYQSVFF-OVXJGJQXNA-N
InChICode InChI=1S/C27H40O7/c1-15(28)32-14-25(2)9-5-10-27(4)20(25)8-11-26(3)18-13-19(17-12-22(29)34-24(17)31)33-23(30)16(18)6-7-21(26)27/h12,16,18-21,23-24,30-31H,5-11,13-14H2,1-4H3/t16-,18+,19+,20-,21-,23+,24+,25-,26-,27-/m0/s1
SMILES CC(=O)OCC1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@H](O)O[C@@H](C5=CC(=O)OC5O)C[C@H]4[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosaspongia nigra Ref.
zoom in