(Q103817979)

English

15,16,33,33-Tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9-diol

group of stereoisomers with the chemical formula C₃₇H₄₅NO₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

indole-diterpenoid alkaloid

1 reference

inferred from

indole-diterpenoid alkaloid

mass

583.32977354 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₅NO₅

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canonical SMILES

OC1C(OC2CCC3(C)C(O)(CCC4C5OC(C)(C)C6CC7C(=C)CC8=CC=C9NC(=C5C9=C8C76)C43C)C%102OC1%10)C(=C)C

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found in taxon

Penicillium crustosum

1 reference

stated in

Structure and biosynthesis of the penitrems A–F, six novel tremorgenic mycotoxins from Penicillium crustosum

Penicillium solitum

1 reference

stated in

Structure and biosynthesis of the penitrems A–F, six novel tremorgenic mycotoxins from Penicillium crustosum

Identifiers

InChI

InChI=1S/C37H45NO5/c1-16(2)29-28(39)32-37(43-32)23(41-29)11-12-34(6)35(7)20(10-13-36(34,37)40)30-27-26-22(38-31(27)35)9-8-18-14-17(3)19-15-21(25(19)24(18)26)33(4,5)42-30/h8-9,19-21,23,25,28-30,32,38-40H,1,3,10-15H2,2,4-7H3

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InChIKey

CRPJNVUYZRFGAK-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CRPJNVUYZRFGAK-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0256239

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CRPJNVUYZRFGAK-UHFFFAOYSA-N

(Q103817979)

15,16,33,33-Tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9-diol

Statements

Identifiers

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