input word = C00042362

Metabolite InformationStructural formula
Name Cereotagalol B
(+)-Cereotagalol B
Formula C30H52O4
Mw 476.38656015
CAS RN 872048-14-1
C_ID C00042362 ,
InChIKey YBIYNGXSXBLTCS-HTALSNFKNA-N
InChICode InChI=1S/C30H52O4/c1-25(2,33)14-8-15-30(7,34)21-11-17-28(5)20(21)9-10-23-26(3)16-13-24(32)27(4,19-31)22(26)12-18-29(23,28)6/h8,14,20-24,31-34H,9-13,15-19H2,1-7H3/b14-8+/t20-,21+,22-,23-,24+,26+,27+,28-,29-,30+/m1/s1
SMILES C1[C@H]2[C@]([C@]3([C@H](C1)[C@H](CC3)[C@](C/C=C/C(C)(C)O)(O)C)C)(CC[C@@H]1[C@@]2(CC[C@@H]([C@]1(CO)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeCeriops tagal Ref.
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OrganismCeriops tagal
ReferencePekhathirathien,J.Nat.Prod.,68,(2005),1787