input word = C00049885

Metabolite InformationStructural formula
Name Petrosaspongiolide M
Formula C27H40O6
Mw 460.28248901
CAS RN 209408-71-9
C_ID C00049885 ,
InChIKey RVWQZLJUVIFAOY-CCTOOEEPNA-N
InChICode InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20-,21-,23+,24+,26-,27-/m0/s1
SMILES [C@H]12[C@@H](C[C@@H](O[C@H]1OC(=O)C)C1=CC(=O)O[C@H]1O)[C@]1([C@H](CC2)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosaspongia nigra Ref.
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OrganismPetrosaspongia nigra
ReferenceRandazzo,J.Nat.Prod.,61,(1998),571