input word = C00049886

Metabolite InformationStructural formula
Name Petrosaspongiolide N
Formula C29H42O8
Mw 518.28796832
CAS RN 209408-72-0
C_ID C00049886 ,
InChIKey ZSDRTHXMHGHLMW-NVYREIKFNA-N
InChICode InChI=1S/C29H42O8/c1-16(30)34-15-27(3)10-6-11-29(5)22(27)9-12-28(4)20-14-21(19-13-24(32)37-25(19)33)36-26(35-17(2)31)18(20)7-8-23(28)29/h13,18,20-23,25-26,33H,6-12,14-15H2,1-5H3/t18-,20+,21+,22-,23-,25-,26+,27+,28-,29-/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)COC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosaspongia nigra Ref.
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