input word = C00016124

Metabolite InformationStructural formula
Name BE 31405
Formula C28H36O10
Mw 532.23084737
CAS RN 158054-02-5
C_ID C00016124 ,
InChIKey ULHRLJDDVCQHQE-UHFFFAOYNA-N
InChICode InChI=1S/C28H36O10/c1-12(2)18-7-15-8-25(10-29)17-6-5-13(3)16(17)9-26(15,27(18,25)24(32)33)11-34-28-22(31)20-19(35-14(4)30)21(37-28)23(36-20)38-28/h7,10,12-13,15-17,19-23,31H,5-6,8-9,11H2,1-4H3,(H,32,33)/t13-,15-,16+,17-,19+,20-,21-,22+,23-,25-,26-,27-,28+/m1/s1
SMILES [C@H]12[C@@H]3O[C@H]([C@@H]1OC(=O)C)[C@@H]([C@](O2)(O3)OC[C@@]12[C@]3(C(=C[C@@H]1C[C@]3([C@H]1[C@@H](C2)[C@@H](CC1)C)C=O)C(C)C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium minioluteum F31405 Ref.
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