input word = C00039335

Metabolite InformationStructural formula
Name Haplosamate A
Formula C29H51O12PS
Mw 654.28388431
CAS RN 242150-93-2
C_ID C00039335 ,
InChIKey BIUDJYFTJQRTNI-QMMLVSOCNA-N
InChICode InChI=1S/C29H51O12PS/c1-13(2)15(4)18-12-14(3)20-26(39-18)27(40-42(33,34)38-7)21-19-16(8-10-29(20,21)6)28(5)11-9-17(41-43(35,36)37)23(30)22(28)25(32)24(19)31/h13-27,30-32H,8-12H2,1-7H3,(H,33,34)(H,35,36,37)/t14-,15+,16+,17-,18-,19-,20+,21-,22+,23+,24-,25+,26+,27+,28-,29-/m1/s1
SMILES C1[C@H]([C@@H]([C@@H]2[C@](C1)([C@@H]1[C@@H]([C@H]([C@H]2O)O)[C@H]2[C@](CC1)([C@@H]1[C@@H]([C@H]2O[P@](=O)(OC)O)O[C@H](C[C@H]1C)[C@@H](C)C(C)C)C)C)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cribrochalina sp. Ref.
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OrganismCribrochalina sp.
ReferenceNakao,J.Nat.Prod.,70,(2007),689