input word = C00046847

Metabolite InformationStructural formula
Name Petrosaspongiolide D
(-)-Petrosaspongiolide D
Formula C27H40O7
Mw 476.27740363
CAS RN 194148-83-9
C_ID C00046847 ,
InChIKey XLOSRKDRMWLLGT-UQOGHTJQNA-N
InChICode InChI=1S/C27H40O7/c1-15(29)31-20-12-17-16(22-33-23-27(20,34-22)13-21(30)32-23)6-7-19-25(17,3)11-8-18-24(2,14-28)9-5-10-26(18,19)4/h16-20,22-23,28H,5-14H2,1-4H3/t16-,17+,18-,19-,20+,22+,23+,24+,25-,26-,27-/m0/s1
SMILES C1(=O)O[C@H]2[C@]3(C1)[C@@H](C[C@@H]1[C@@H]([C@H](O2)O3)CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CCC[C@@]1(CO)C)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia sp. Ref.
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OrganismSpongia sp.
ReferenceMarino,J.Nat.Prod.,63,(2000),322