input word = C00043573

Metabolite InformationStructural formula
Name Heteronemin
Formula C29H44O6
Mw 488.31378914
CAS RN 62008-04-2
C_ID C00043573 ,
InChIKey VYIQDOVNWPEWRJ-XCYPRAQPNA-N
InChICode InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1
SMILES C1[C@]2([C@H](C(CC1)(C)C)CC[C@@]1([C@@H]2C[C@H]([C@]2([C@H]1C[C@@H](C1=CO[C@H]([C@H]21)OC(=O)C)OC(=O)C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Brachiaster sp. Ref.
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OrganismBrachiaster sp.
ReferenceWonganuchitmeta,J.Nat.Prod.,67,(2004),1767