input word = C00049887

Metabolite InformationStructural formula
Name Petrosaspongiolide P
Formula C25H38O5
Mw 418.27192432
CAS RN 209408-74-2
C_ID C00049887 ,
InChIKey KBXIJAUSPXZGMP-MKFZVCINNA-N
InChICode InChI=1S/C25H38O5/c1-23(2)9-5-10-25(4)18(23)8-11-24(3)16-13-17(15-12-20(26)30-22(15)28)29-21(27)14(16)6-7-19(24)25/h12,14,16-19,21-22,27-28H,5-11,13H2,1-4H3/t14-,16+,17+,18-,19-,21+,22-,24-,25-/m0/s1
SMILES [C@H]12[C@@H](C[C@@H](O[C@H]1O)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