input word = C00042361

Metabolite InformationStructural formula
Name Cereotagalol A
(+)-Cereotagalol A
Formula C30H52O4
Mw 476.38656015
CAS RN 872048-12-9
C_ID C00042361 ,
InChIKey FHBFNEUJHULFCA-BXWHVBLQNA-N
InChICode InChI=1S/C30H52O4/c1-19(2)22(32)11-17-30(7,34)21-10-15-28(5)20(21)8-9-24-26(3)14-13-25(33)27(4,18-31)23(26)12-16-29(24,28)6/h20-25,31-34H,1,8-18H2,2-7H3/t20-,21+,22+,23-,24-,25+,26+,27+,28-,29-,30+/m1/s1
SMILES C1[C@H]2[C@]([C@]3([C@H](C1)[C@H](CC3)[C@](CC[C@@H](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