input word = C00038645

Metabolite InformationStructural formula
Name Brianodin B
(-)-Brianodin B
Formula C28H38O14
Mw 598.22615592
CAS RN 1020540-74-2
C_ID C00038645 ,
InChIKey WRMRTVQZNMWLDP-NCCFVTSUNA-N
InChICode InChI=1S/C28H38O14/c1-12-11-18-28(37,27(8,36)24(34)42-18)23(41-16(5)32)21-25(6,10-9-17(26(21,7)35)38-13(2)29)22(40-15(4)31)19(33)20(12)39-14(3)30/h9-11,17-23,33,35-37H,1-8H3/b12-11-/t17-,18+,19-,20+,21-,22-,23+,25-,26-,27-,28+/m1/s1
SMILES C\1=C(\[C@@H]([C@H]([C@H]([C@]2([C@@H]([C@@H]([C@]3([C@H]1OC(=O)[C@]3(O)C)O)OC(=O)C)[C@@]([C@@H](C=C2)OC(=O)C)(O)C)C)OC(=O)C)O)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pachyclavularia sp. Ref.
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OrganismPachyclavularia sp.
ReferenceIshiyama,J.Nat.Prod.,71,(2008),633